CID 97112165

Rac-(1r,2s)-2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}cyclopropane-1-carboxylic acid

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
trans-(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]+ 242.138686 156.6
[M+Na]+ 264.120628 162.9
[M-H]- 240.124134 161.2
[M+NH4]+ 259.165233 161.7
[M+K]+ 280.094568 163.6
[M+H-H2O]+ 224.128670 145.5
[M+HCOO]- 286.129611 172.1
[M+CH3COO]- 300.145261 196.3
[M+Na-2H]- 262.106076 157.2
[M]+ 241.13086142 168.2
[M]- 241.13195858 168.2
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.