CID 131752435

2-(3-hydroxy-4-methylphenyl)-6-methylheptan-4-one

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C(C=C(C=C1)C(C)CC(=O)CC(C)C)O
InChI
InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-6,9-10,12,17H,7-8H2,1-4H3
InChIKey
VLJVBISZYRTNJO-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methylphenyl)-6-methylheptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.1
[M+Na]+ 257.15121 161.9
[M-H]- 233.15471 158.2
[M+NH4]+ 252.19581 173.6
[M+K]+ 273.12515 159.6
[M+H-H2O]+ 217.15925 150.3
[M+HCOO]- 279.16019 174.8
[M+CH3COO]- 293.17584 194.9
[M+Na-2H]- 255.13666 155.6
[M]+ 234.16144 157.4
[M]- 234.16254 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.