CID 92495

2-methoxypropanoyl chloride

Structural Information

Molecular Formula
C4H7ClO2
SMILES
CC(C(=O)Cl)OC
InChI
InChI=1S/C4H7ClO2/c1-3(7-2)4(5)6/h3H,1-2H3
InChIKey
NBEMORIANHKPTH-UHFFFAOYSA-N
Compound name
2-methoxypropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

122.01346 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.020736 119.0
[M+Na]+ 145.002678 127.7
[M-H]- 121.006184 119.8
[M+NH4]+ 140.047283 142.3
[M+K]+ 160.976618 127.1
[M+H-H2O]+ 105.010720 116.1
[M+HCOO]- 167.011661 137.7
[M+CH3COO]- 181.027311 169.8
[M+Na-2H]- 142.988126 124.4
[M]+ 122.01291142 122.3
[M]- 122.01400858 122.3
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