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]+ 121.04147 122.2
[M+Na]+ 143.02341 130.4
[M-H]- 119.02692 121.3
[M+NH4]+ 138.06802 145.0
[M+K]+ 158.99735 127.6
[M+H-H2O]+ 103.03146 119.5
[M+HCOO]- 165.03240 139.8
[M+CH3COO]- 179.04805 166.6
[M+Na-2H]- 141.00886 127.7
[M]+ 120.03365 122.9
[M]- 120.03474 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