CID 132314105

2138198-94-2

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C1)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-9-7-18-5-4-13(9,8-14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-,13+/m1/s1
InChIKey
HLWSLFMGOOPQHQ-RNCFNFMXSA-N
Compound name
(3aR,7aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 161.0
[M+Na]+ 294.13119 167.1
[M+NH4]+ 289.17579 167.5
[M+K]+ 310.10513 165.5
[M-H]- 270.13469 159.5
[M+Na-2H]- 292.11664 161.5
[M]+ 271.14142 161.1
[M]- 271.14252 161.1
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.