CID 166000857

2839152-31-5

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC1CC2CC1(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-8-4-7-5-12(8,6-7)9(14)15/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
GWXAIXGKWKZIOF-UHFFFAOYSA-N
Compound name
2-[(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

0
Patents

241.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 169.1
[M+Na]+ 264.12063 172.3
[M-H]- 240.12413 168.5
[M+NH4]+ 259.16523 187.9
[M+K]+ 280.09457 174.4
[M+H-H2O]+ 224.12867 163.0
[M+HCOO]- 286.12961 182.8
[M+CH3COO]- 300.14526 196.2
[M+Na-2H]- 262.10608 173.5
[M]+ 241.13086 182.1
[M]- 241.13196 182.1
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.