CID 90092947

2-cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Structural Information

Molecular Formula
C16H26O
SMILES
CC1CC(C=C(C1O)C)C2CC=C(C2(C)C)C
InChI
InChI=1S/C16H26O/c1-10-8-13(9-11(2)15(10)17)14-7-6-12(3)16(14,4)5/h6,8,11,13-15,17H,7,9H2,1-5H3
InChIKey
MQEPGDOYYNNWSR-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

234.19836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 154.9
[M+Na]+ 257.187578 162.8
[M-H]- 233.191084 160.8
[M+NH4]+ 252.232183 177.1
[M+K]+ 273.161518 159.1
[M+H-H2O]+ 217.195620 150.4
[M+HCOO]- 279.196561 173.9
[M+CH3COO]- 293.212211 193.8
[M+Na-2H]- 255.173026 154.2
[M]+ 234.19781142 153.1
[M]- 234.19890858 153.1
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