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 126.3
[M+Na]+ 149.09368 138.3
[M+NH4]+ 144.13828 137.3
[M+K]+ 165.06762 130.2
[M-H]- 125.09718 128.6
[M+Na-2H]- 147.07913 134.0
[M]+ 126.10391 128.8
[M]- 126.10501 128.8
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