CID 97112165

2227740-83-0

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7(6-13)8-4-9(8)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8-,9+/m0/s1
InChIKey
ORZOKDMZSYZMLD-DTWKUNHWSA-N
Compound name
(1R,2S)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 159.5
[M+Na]+ 264.12063 164.8
[M+NH4]+ 259.16523 161.6
[M+K]+ 280.09457 165.4
[M-H]- 240.12413 162.3
[M+Na-2H]- 262.10608 161.2
[M]+ 241.13086 160.7
[M]- 241.13196 160.7
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.