CID 145915525

2402789-91-5

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)CC(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-5-4-8(6-9)7-10(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChIKey
WZSILGJSQMMXGP-BDAKNGLRSA-N
Compound name
2-[(1R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 156.2
[M+Na]+ 264.12063 161.2
[M-H]- 240.12413 158.2
[M+NH4]+ 259.16523 174.6
[M+K]+ 280.09457 160.4
[M+H-H2O]+ 224.12867 151.0
[M+HCOO]- 286.12961 176.2
[M+CH3COO]- 300.14526 190.8
[M+Na-2H]- 262.10608 157.5
[M]+ 241.13086 156.5
[M]- 241.13196 156.5
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.