CID 12601004

5,5-dimethylcyclohex-2-en-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CC1(CC=CC(C1)O)C
InChI
InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-4,7,9H,5-6H2,1-2H3
InChIKey
RFVWTEHVBODFMT-UHFFFAOYSA-N
Compound name
5,5-dimethylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 125.8
[M+Na]+ 149.093678 133.0
[M-H]- 125.097184 128.3
[M+NH4]+ 144.138283 149.6
[M+K]+ 165.067618 131.8
[M+H-H2O]+ 109.101720 121.9
[M+HCOO]- 171.102661 146.6
[M+CH3COO]- 185.118311 169.0
[M+Na-2H]- 147.079126 132.6
[M]+ 126.10391142 122.7
[M]- 126.10500858 122.7
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