CID 592706

1-cyclohexene-1-ethanol, 2,6,6-trimethyl-

Structural Information

Molecular Formula
C11H20O
SMILES
CC1=C(C(CCC1)(C)C)CCO
InChI
InChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3
InChIKey
JGJFZOVBBGQGOM-UHFFFAOYSA-N
Compound name
2-(2,6,6-trimethylcyclohexen-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.15141 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 138.3
[M+Na]+ 191.140628 145.2
[M-H]- 167.144134 140.6
[M+NH4]+ 186.185233 160.8
[M+K]+ 207.114568 143.3
[M+H-H2O]+ 151.148670 134.2
[M+HCOO]- 213.149611 158.1
[M+CH3COO]- 227.165261 179.3
[M+Na-2H]- 189.126076 142.9
[M]+ 168.15086142 136.8
[M]- 168.15195858 136.8
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