CID 103499

51595-91-6

Structural Information

Molecular Formula
C14H24O
SMILES
CC1=C(C(CCC1)(C)C)C=C(C)C(C)O
InChI
InChI=1S/C14H24O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,12,15H,6-8H2,1-5H3
InChIKey
RGCSRKQFSSXYRE-UHFFFAOYSA-N
Compound name
3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

208.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 150.4
[M+Na]+ 231.17193 155.9
[M-H]- 207.17543 152.3
[M+NH4]+ 226.21653 171.1
[M+K]+ 247.14587 153.6
[M+H-H2O]+ 191.17997 146.1
[M+HCOO]- 253.18091 167.4
[M+CH3COO]- 267.19656 188.6
[M+Na-2H]- 229.15738 151.0
[M]+ 208.18216 147.9
[M]- 208.18326 147.9
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.