CID 69341

Ethyl 3-chloropropionate

Structural Information

Molecular Formula
C5H9ClO2
SMILES
CCOC(=O)CCCl
InChI
InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey
ZCLGVXACCAZJOX-UHFFFAOYSA-N
Compound name
ethyl 3-chloropropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

842
Patents

136.02911 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03639 124.1
[M+Na]+ 159.01833 132.7
[M-H]- 135.02183 124.6
[M+NH4]+ 154.06293 147.0
[M+K]+ 174.99227 131.4
[M+H-H2O]+ 119.02637 120.9
[M+HCOO]- 181.02731 143.5
[M+CH3COO]- 195.04296 171.3
[M+Na-2H]- 157.00378 130.2
[M]+ 136.02856 128.3
[M]- 136.02966 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe