CID 15858385

6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

232.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 154.6
[M+Na]+ 255.13555 160.8
[M-H]- 231.13905 156.8
[M+NH4]+ 250.18015 172.2
[M+K]+ 271.10949 157.9
[M+H-H2O]+ 215.14359 149.0
[M+HCOO]- 277.14453 173.6
[M+CH3COO]- 291.16018 193.4
[M+Na-2H]- 253.12100 154.2
[M]+ 232.14578 155.2
[M]- 232.14688 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