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]+ 211.205636 153.5
[M+Na]+ 233.187578 157.7
[M-H]- 209.191084 154.9
[M+NH4]+ 228.232183 172.0
[M+K]+ 249.161518 155.6
[M+H-H2O]+ 193.195620 148.0
[M+HCOO]- 255.196561 170.2
[M+CH3COO]- 269.212211 190.6
[M+Na-2H]- 231.173026 152.7
[M]+ 210.19781142 151.4
[M]- 210.19890858 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.