CID 165664292

2408970-32-9

Structural Information

Molecular Formula
C8H12ClNO2
SMILES
C1CC1N2CC(C2)(CCl)C(=O)O
InChI
InChI=1S/C8H12ClNO2/c9-3-8(7(11)12)4-10(5-8)6-1-2-6/h6H,1-5H2,(H,11,12)
InChIKey
AECPDMNLMDFAJP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-cyclopropylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05565 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.062926 135.8
[M+Na]+ 212.044868 144.2
[M-H]- 188.048374 140.5
[M+NH4]+ 207.089473 145.4
[M+K]+ 228.018808 143.6
[M+H-H2O]+ 172.052910 126.8
[M+HCOO]- 234.053851 150.2
[M+CH3COO]- 248.069501 184.8
[M+Na-2H]- 210.030316 140.5
[M]+ 189.05510142 146.9
[M]- 189.05619858 146.9
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.