CID 93697

57526-28-0

Structural Information

Molecular Formula
C5H9ClO
SMILES
CCC(C)C(=O)Cl
InChI
InChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3
InChIKey
XRPVXVRWIDOORM-UHFFFAOYSA-N
Compound name
2-methylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1003
Patents

120.034195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 120.9
[M+Na]+ 143.023413 129.2
[M-H]- 119.026919 121.5
[M+NH4]+ 138.068018 144.3
[M+K]+ 158.997353 127.9
[M+H-H2O]+ 103.031455 118.0
[M+HCOO]- 165.032396 139.1
[M+CH3COO]- 179.048046 170.9
[M+Na-2H]- 141.008861 125.9
[M]+ 120.03364642 123.1
[M]- 120.03474358 123.1
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