CID 165947345

2763750-81-6

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC12CC(C1)CC2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-12-5-7(6-12)4-8(12)9(14)15/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
IDBLEGOJJOWPSF-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-2-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]+ 242.138686 169.1
[M+Na]+ 264.120628 172.3
[M-H]- 240.124134 168.5
[M+NH4]+ 259.165233 187.9
[M+K]+ 280.094568 174.4
[M+H-H2O]+ 224.128670 163.0
[M+HCOO]- 286.129611 182.8
[M+CH3COO]- 300.145261 196.2
[M+Na-2H]- 262.106076 173.5
[M]+ 241.13086142 182.1
[M]- 241.13195858 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.