CID 145913712

Rac-(1r,2s)-2-(azetidin-3-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2CNC2
InChI
InChI=1S/C7H11NO2/c9-7(10)6-1-5(6)4-2-8-3-4/h4-6,8H,1-3H2,(H,9,10)/t5-,6+/m0/s1
InChIKey
DPBAXFOJUNRVNE-NTSWFWBYSA-N
Compound name
(1R,2S)-2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.8
[M+Na]+ 164.06820 136.0
[M-H]- 140.07170 132.4
[M+NH4]+ 159.11280 136.9
[M+K]+ 180.04214 135.8
[M+H-H2O]+ 124.07624 117.9
[M+HCOO]- 186.07718 146.6
[M+CH3COO]- 200.09283 176.5
[M+Na-2H]- 162.05365 132.7
[M]+ 141.07843 135.9
[M]- 141.07953 135.9
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.