CID 12794989

4-methoxybutanoyl chloride

Structural Information

Molecular Formula
C5H9ClO2
SMILES
COCCCC(=O)Cl
InChI
InChI=1S/C5H9ClO2/c1-8-4-2-3-5(6)7/h2-4H2,1H3
InChIKey
IMQIREFMSWXIEJ-UHFFFAOYSA-N
Compound name
4-methoxybutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

136.02911 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03639 123.9
[M+Na]+ 159.01833 132.4
[M-H]- 135.02183 124.4
[M+NH4]+ 154.06293 146.7
[M+K]+ 174.99227 131.1
[M+H-H2O]+ 119.02637 120.7
[M+HCOO]- 181.02731 143.3
[M+CH3COO]- 195.04296 172.0
[M+Na-2H]- 157.00378 130.0
[M]+ 136.02856 128.2
[M]- 136.02966 128.2
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