CID 102394

3350-78-5

Structural Information

Molecular Formula
C5H7ClO
SMILES
CC(=CC(=O)Cl)C
InChI
InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3
InChIKey
BDUBTLFQHNYXPC-UHFFFAOYSA-N
Compound name
3-methylbut-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2089
Patents

118.01854 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 119.6
[M+Na]+ 141.00776 128.3
[M-H]- 117.01126 120.3
[M+NH4]+ 136.05236 143.1
[M+K]+ 156.98170 126.3
[M+H-H2O]+ 101.01580 116.8
[M+HCOO]- 163.01674 137.9
[M+CH3COO]- 177.03239 169.3
[M+Na-2H]- 138.99321 124.6
[M]+ 118.01799 121.0
[M]- 118.01909 121.0
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