CID 146097511

Rac-(4ar,7ar)-6-[(tert-butoxy)carbonyl]-octahydropyrano[2,3-c]pyrrole-7a-carboxylic acid

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CCCO[C@@]2(C1)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-9-5-4-6-18-13(9,8-14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-,13+/m0/s1
InChIKey
FEQHMAVMUQFPOZ-TVQRCGJNSA-N
Compound name
(4aS,7aS)-6-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,4a,5,7-hexahydropyrano[2,3-c]pyrrole-7a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 161.7
[M+Na]+ 294.13119 166.4
[M-H]- 270.13469 163.2
[M+NH4]+ 289.17579 179.3
[M+K]+ 310.10513 167.0
[M+H-H2O]+ 254.13923 157.3
[M+HCOO]- 316.14017 173.9
[M+CH3COO]- 330.15582 192.0
[M+Na-2H]- 292.11664 164.8
[M]+ 271.14142 160.8
[M]- 271.14252 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.