CID 50986428

1303890-60-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1[C@H]2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-4-5-7-8(9(7)13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9-/m0/s1
InChIKey
GUOCNDJUQRXVIX-CIUDSAMLSA-N
Compound name
(1S,6S,7S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.7
[M+Na]+ 264.12063 165.4
[M+NH4]+ 259.16523 162.2
[M+K]+ 280.09457 164.0
[M-H]- 240.12413 160.8
[M+Na-2H]- 262.10608 159.0
[M]+ 241.13086 159.3
[M]- 241.13196 159.3
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.