CID 57918025

952708-31-5

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C[C@@H]1O)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-7-4-6(9(14)15)5-8(7)13/h6-8,13H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t6-,7+,8-/m0/s1
InChIKey
LUFYOKRQPSBJIS-RNJXMRFFSA-N
Compound name
(1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

245.12633 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 155.2
[M+Na]+ 268.115548 159.9
[M-H]- 244.119054 155.9
[M+NH4]+ 263.160153 172.8
[M+K]+ 284.089488 159.4
[M+H-H2O]+ 228.123590 150.6
[M+HCOO]- 290.124531 172.7
[M+CH3COO]- 304.140181 189.3
[M+Na-2H]- 266.100996 155.2
[M]+ 245.12578142 153.7
[M]- 245.12687858 153.7
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

patents stripe