CID 6365673

Einecs 274-669-4

Structural Information

Molecular Formula
C13H22O
SMILES
CCC(/C(=C/C1CCC(=CC1)C)/C)O
InChI
InChI=1S/C13H22O/c1-4-13(14)11(3)9-12-7-5-10(2)6-8-12/h5,9,12-14H,4,6-8H2,1-3H3/b11-9+
InChIKey
XZSMHQUHZREMCJ-PKNBQFBNSA-N
Compound name
(E)-2-methyl-1-(4-methylcyclohex-3-en-1-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 148.5
[M+Na]+ 217.156288 152.5
[M-H]- 193.159794 149.8
[M+NH4]+ 212.200893 167.3
[M+K]+ 233.130228 150.1
[M+H-H2O]+ 177.164330 143.0
[M+HCOO]- 239.165271 165.8
[M+CH3COO]- 253.180921 184.8
[M+Na-2H]- 215.141736 148.9
[M]+ 194.16652142 144.9
[M]- 194.16761858 144.9
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.