CID 165588630

2728630-26-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC1C2CC(C2)(N1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-7-8-5-12(6-8,9(14)15)13(7)10(16)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKey
YPKKYJLEFNICPL-UHFFFAOYSA-N
Compound name
3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 154.1
[M+Na]+ 264.12063 155.0
[M+NH4]+ 259.16523 158.0
[M+K]+ 280.09457 156.5
[M-H]- 240.12413 145.7
[M+Na-2H]- 262.10608 148.1
[M]+ 241.13086 150.3
[M]- 241.13196 150.3
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.