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]+ 190.06293 135.8
[M+Na]+ 212.04487 144.2
[M-H]- 188.04837 140.5
[M+NH4]+ 207.08947 145.4
[M+K]+ 228.01881 143.6
[M+H-H2O]+ 172.05291 126.8
[M+HCOO]- 234.05385 150.2
[M+CH3COO]- 248.06950 184.8
[M+Na-2H]- 210.03032 140.5
[M]+ 189.05510 146.9
[M]- 189.05620 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.