CID 126977340

1-(2-chloroethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11ClO2
SMILES
C1CC(C1)(CCCl)C(=O)O
InChI
InChI=1S/C7H11ClO2/c8-5-4-7(6(9)10)2-1-3-7/h1-5H2,(H,9,10)
InChIKey
SKJSTZNXLDPACL-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04475 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.052026 129.1
[M+Na]+ 185.033968 135.7
[M-H]- 161.037474 131.3
[M+NH4]+ 180.078573 145.4
[M+K]+ 201.007908 135.7
[M+H-H2O]+ 145.042010 121.8
[M+HCOO]- 207.042951 144.9
[M+CH3COO]- 221.058601 176.4
[M+Na-2H]- 183.019416 134.7
[M]+ 162.04420142 138.3
[M]- 162.04529858 138.3
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.