CID 10955433

2-hepten-4-one, 6-(2-hydroxy-4-methylphenyl)-2-methyl-

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CC(=C(C=C1)C(C)CC(=O)C=C(C)C)O
InChI
InChI=1S/C15H20O2/c1-10(2)7-13(16)9-12(4)14-6-5-11(3)8-15(14)17/h5-8,12,17H,9H2,1-4H3
InChIKey
WYIJOOQDLOBLCP-UHFFFAOYSA-N
Compound name
6-(2-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 154.6
[M+Na]+ 255.135548 160.8
[M-H]- 231.139054 156.8
[M+NH4]+ 250.180153 172.2
[M+K]+ 271.109488 157.9
[M+H-H2O]+ 215.143590 149.0
[M+HCOO]- 277.144531 173.6
[M+CH3COO]- 291.160181 193.4
[M+Na-2H]- 253.120996 154.2
[M]+ 232.14578142 155.2
[M]- 232.14687858 155.2
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

patents stripe