CID 558612

2-cyclohexen-1-ol, 4,4,6-trimethyl-

Structural Information

Molecular Formula
C9H16O
SMILES
CC1CC(C=CC1O)(C)C
InChI
InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7-8,10H,6H2,1-3H3
InChIKey
NRODQAAVEUMKOS-UHFFFAOYSA-N
Compound name
4,4,6-trimethylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 129.1
[M+Na]+ 163.109338 136.9
[M-H]- 139.112844 131.9
[M+NH4]+ 158.153943 152.7
[M+K]+ 179.083278 135.5
[M+H-H2O]+ 123.117380 125.4
[M+HCOO]- 185.118321 149.6
[M+CH3COO]- 199.133971 173.2
[M+Na-2H]- 161.094786 134.8
[M]+ 140.11957142 126.9
[M]- 140.12066858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe