CID 90092947

1401065-88-0

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
3
Annotation Hits

0
References

20
Patents

234.19836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 154.9
[M+Na]+ 257.18758 162.8
[M-H]- 233.19108 160.8
[M+NH4]+ 252.23218 177.1
[M+K]+ 273.16152 159.1
[M+H-H2O]+ 217.19562 150.4
[M+HCOO]- 279.19656 173.9
[M+CH3COO]- 293.21221 193.8
[M+Na-2H]- 255.17303 154.2
[M]+ 234.19781 153.1
[M]- 234.19891 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