CID 91757371

1251009-97-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC1(CC12CCC2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-12(8(14)15)7-11(12)5-4-6-11/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
XIMJCIGLTVKECX-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 158.4
[M+Na]+ 264.12063 164.0
[M-H]- 240.12413 163.5
[M+NH4]+ 259.16523 168.1
[M+K]+ 280.09457 166.3
[M+H-H2O]+ 224.12867 151.0
[M+HCOO]- 286.12961 175.0
[M+CH3COO]- 300.14526 195.8
[M+Na-2H]- 262.10608 163.4
[M]+ 241.13086 169.8
[M]- 241.13196 169.8
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.