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]+ 195.17435 148.5
[M+Na]+ 217.15629 152.5
[M-H]- 193.15979 149.8
[M+NH4]+ 212.20089 167.3
[M+K]+ 233.13023 150.1
[M+H-H2O]+ 177.16433 143.0
[M+HCOO]- 239.16527 165.8
[M+CH3COO]- 253.18092 184.8
[M+Na-2H]- 215.14174 148.9
[M]+ 194.16652 144.9
[M]- 194.16762 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.