CID 130514627

1857641-31-6

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]+ 163.05203 130.2
[M+Na]+ 185.03397 139.7
[M-H]- 161.03747 133.6
[M+NH4]+ 180.07857 148.1
[M+K]+ 201.00791 136.7
[M+H-H2O]+ 145.04201 126.9
[M+HCOO]- 207.04295 147.6
[M+CH3COO]- 221.05860 176.9
[M+Na-2H]- 183.01942 136.5
[M]+ 162.04420 134.8
[M]- 162.04530 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.