CID 138040024

2021659-61-8

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC12CC(C1)(N(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-7-11(4)5-12(13,6-11)8(14)15/h5-7H2,1-4H3,(H,14,15)
InChIKey
DHWDSOQJAYPICV-UHFFFAOYSA-N
Compound name
4-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 154.7
[M+Na]+ 264.12063 155.3
[M+NH4]+ 259.16523 159.9
[M+K]+ 280.09457 155.0
[M-H]- 240.12413 146.2
[M+Na-2H]- 262.10608 150.4
[M]+ 241.13086 151.1
[M]- 241.13196 151.1
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.