CID 10866501

6-chloro-3-methylhex-2-en-1-ol

Structural Information

Molecular Formula
C7H13ClO
SMILES
C/C(=C\CO)/CCCCl
InChI
InChI=1S/C7H13ClO/c1-7(4-6-9)3-2-5-8/h4,9H,2-3,5-6H2,1H3/b7-4+
InChIKey
JUGFUGDZRVXMCS-QPJJXVBHSA-N
Compound name
(E)-6-chloro-3-methylhex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06549 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07277 131.6
[M+Na]+ 171.05471 138.9
[M-H]- 147.05821 130.3
[M+NH4]+ 166.09931 153.3
[M+K]+ 187.02865 135.6
[M+H-H2O]+ 131.06275 128.4
[M+HCOO]- 193.06369 148.5
[M+CH3COO]- 207.07934 172.7
[M+Na-2H]- 169.04016 136.0
[M]+ 148.06494 133.1
[M]- 148.06604 133.1
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

No patent data available for this compound.