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]+ 149.072766 131.6
[M+Na]+ 171.054708 138.9
[M-H]- 147.058214 130.3
[M+NH4]+ 166.099313 153.3
[M+K]+ 187.028648 135.6
[M+H-H2O]+ 131.062750 128.4
[M+HCOO]- 193.063691 148.5
[M+CH3COO]- 207.079341 172.7
[M+Na-2H]- 169.040156 136.0
[M]+ 148.06494142 133.1
[M]- 148.06603858 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.