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

30
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 125.8
[M+Na]+ 149.09368 133.0
[M-H]- 125.09718 128.3
[M+NH4]+ 144.13828 149.6
[M+K]+ 165.06762 131.8
[M+H-H2O]+ 109.10172 121.9
[M+HCOO]- 171.10266 146.6
[M+CH3COO]- 185.11831 169.0
[M+Na-2H]- 147.07913 132.6
[M]+ 126.10391 122.7
[M]- 126.10501 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