CID 25324806

1050886-56-0

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-12-5-4-11(6-12,7-12)8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
OLKBFKZGMNENLF-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 171.0
[M+Na]+ 264.12063 174.5
[M-H]- 240.12413 170.4
[M+NH4]+ 259.16523 191.5
[M+K]+ 280.09457 176.1
[M+H-H2O]+ 224.12867 165.6
[M+HCOO]- 286.12961 184.6
[M+CH3COO]- 300.14526 194.7
[M+Na-2H]- 262.10608 177.1
[M]+ 241.13086 184.0
[M]- 241.13196 184.0
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