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

75
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 171.0
[M+Na]+ 264.120628 174.5
[M-H]- 240.124134 170.4
[M+NH4]+ 259.165233 191.5
[M+K]+ 280.094568 176.1
[M+H-H2O]+ 224.128670 165.6
[M+HCOO]- 286.129611 184.6
[M+CH3COO]- 300.145261 194.7
[M+Na-2H]- 262.106076 177.1
[M]+ 241.13086142 184.0
[M]- 241.13195858 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