CID 551197

4-chloro-3-methylbut-2-en-1-ol

Structural Information

Molecular Formula
C5H9ClO
SMILES
CC(=CCO)CCl
InChI
InChI=1S/C5H9ClO/c1-5(4-6)2-3-7/h2,7H,3-4H2,1H3
InChIKey
QZYCIZBUCPJIGT-UHFFFAOYSA-N
Compound name
4-chloro-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

120.034195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 122.2
[M+Na]+ 143.023413 130.4
[M-H]- 119.026919 121.3
[M+NH4]+ 138.068018 145.0
[M+K]+ 158.997353 127.6
[M+H-H2O]+ 103.031455 119.5
[M+HCOO]- 165.032396 139.8
[M+CH3COO]- 179.048046 166.6
[M+Na-2H]- 141.008861 127.7
[M]+ 120.03364642 122.9
[M]- 120.03474358 122.9
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