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]+ 163.05203 129.1
[M+Na]+ 185.03397 135.7
[M-H]- 161.03747 131.3
[M+NH4]+ 180.07857 145.4
[M+K]+ 201.00791 135.7
[M+H-H2O]+ 145.04201 121.8
[M+HCOO]- 207.04295 144.9
[M+CH3COO]- 221.05860 176.4
[M+Na-2H]- 183.01942 134.7
[M]+ 162.04420 138.3
[M]- 162.04530 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.