CID 11356940

352226-72-3

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC(=C[C@@H]1O)C(=O)O
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12-7-4-6(9(14)15)5-8(7)13/h5,7-8,13H,4H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+/m1/s1
InChIKey
VGLAXEIGOPKPIR-SFYZADRCSA-N
Compound name
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11795 153.8
[M+Na]+ 266.09989 159.4
[M-H]- 242.10339 154.9
[M+NH4]+ 261.14449 171.5
[M+K]+ 282.07383 158.7
[M+H-H2O]+ 226.10793 149.0
[M+HCOO]- 288.10887 172.8
[M+CH3COO]- 302.12452 188.9
[M+Na-2H]- 264.08534 154.7
[M]+ 243.11012 153.6
[M]- 243.11122 153.6
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.