CID 137935466

2248296-87-7

Structural Information

Molecular Formula
C13H21NO5
SMILES
C[C@@H]1C[C@H]2[C@@H](O1)C[C@@H](N2C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H21NO5/c1-7-5-8-10(18-7)6-9(11(15)16)14(8)12(17)19-13(2,3)4/h7-10H,5-6H2,1-4H3,(H,15,16)/t7-,8+,9-,10+/m1/s1
InChIKey
KCQRBGNAHVRGND-RGOKHQFPSA-N
Compound name
(2R,3aS,5R,6aS)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 163.1
[M+Na]+ 294.13119 169.4
[M-H]- 270.13469 165.5
[M+NH4]+ 289.17579 181.1
[M+K]+ 310.10513 169.8
[M+H-H2O]+ 254.13923 159.4
[M+HCOO]- 316.14017 177.4
[M+CH3COO]- 330.15582 194.8
[M+Na-2H]- 292.11664 162.4
[M]+ 271.14142 164.8
[M]- 271.14252 164.8
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.