CID 24720886

933445-55-7

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](CC=C1)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h4,6,8-9H,5,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m0/s1
InChIKey
WRDLRBISLUXLKZ-DTWKUNHWSA-N
Compound name
(1S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.0
[M+Na]+ 264.12063 162.2
[M+NH4]+ 259.16523 160.4
[M+K]+ 280.09457 159.6
[M-H]- 240.12413 153.9
[M+Na-2H]- 262.10608 157.2
[M]+ 241.13086 155.2
[M]- 241.13196 155.2
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.