CID 525232

Chloromethyl pentanoate

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CCCCC(=O)OCCl
InChI
InChI=1S/C6H11ClO2/c1-2-3-4-6(8)9-5-7/h2-5H2,1H3
InChIKey
ZYDSTVMBNBPPLQ-UHFFFAOYSA-N
Compound name
chloromethyl pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

150.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05203 128.8
[M+Na]+ 173.03397 137.0
[M-H]- 149.03747 129.2
[M+NH4]+ 168.07857 151.2
[M+K]+ 189.00791 135.4
[M+H-H2O]+ 133.04201 125.4
[M+HCOO]- 195.04295 147.9
[M+CH3COO]- 209.05860 174.3
[M+Na-2H]- 171.01942 134.4
[M]+ 150.04420 133.4
[M]- 150.04530 133.4
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

patents stripe