CID 130514627

1-(3-chloropropyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11ClO2
SMILES
C1CC1(CCCCl)C(=O)O
InChI
InChI=1S/C7H11ClO2/c8-5-1-2-7(3-4-7)6(9)10/h1-5H2,(H,9,10)
InChIKey
MQDFVEXJNQDBDH-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04475 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.052026 130.2
[M+Na]+ 185.033968 139.7
[M-H]- 161.037474 133.6
[M+NH4]+ 180.078573 148.1
[M+K]+ 201.007908 136.7
[M+H-H2O]+ 145.042010 126.9
[M+HCOO]- 207.042951 147.6
[M+CH3COO]- 221.058601 176.9
[M+Na-2H]- 183.019416 136.5
[M]+ 162.04420142 134.8
[M]- 162.04529858 134.8
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.