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 170.7
[M+Na]+ 264.12063 176.0
[M-H]- 240.12413 169.3
[M+NH4]+ 259.16523 190.7
[M+K]+ 280.09457 177.7
[M+H-H2O]+ 224.12867 165.4
[M+HCOO]- 286.12961 182.3
[M+CH3COO]- 300.14526 193.6
[M+Na-2H]- 262.10608 175.6
[M]+ 241.13086 185.4
[M]- 241.13196 185.4
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.