CID 565411

(2-methylcyclohex-1-en-1-yl)methanol

Structural Information

Molecular Formula
C8H14O
SMILES
CC1=C(CCCC1)CO
InChI
InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h9H,2-6H2,1H3
InChIKey
HQJRTBCIHIBGOB-UHFFFAOYSA-N
Compound name
(2-methylcyclohexen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

126.10446 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 126.3
[M+Na]+ 149.093678 132.6
[M-H]- 125.097184 128.4
[M+NH4]+ 144.138283 148.1
[M+K]+ 165.067618 131.1
[M+H-H2O]+ 109.101720 121.6
[M+HCOO]- 171.102661 147.1
[M+CH3COO]- 185.118311 169.5
[M+Na-2H]- 147.079126 132.0
[M]+ 126.10391142 123.0
[M]- 126.10500858 123.0
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