CID 25076605

94200-98-3

Structural Information

Molecular Formula
C14H26O
SMILES
CC1CCC(C(=C1)CC(C)CO)C(C)C
InChI
InChI=1S/C14H26O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,10-12,14-15H,5-6,8-9H2,1-4H3
InChIKey
KVQDTABZFLWZRH-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 153.5
[M+Na]+ 233.18758 157.7
[M-H]- 209.19108 154.9
[M+NH4]+ 228.23218 172.0
[M+K]+ 249.16152 155.6
[M+H-H2O]+ 193.19562 148.0
[M+HCOO]- 255.19656 170.2
[M+CH3COO]- 269.21221 190.6
[M+Na-2H]- 231.17303 152.7
[M]+ 210.19781 151.4
[M]- 210.19891 151.4
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

No patent data available for this compound.