CID 203918

2-hydroxy-1-(4-methylphenyl)propan-1-one

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC=C(C=C1)C(=O)C(C)O
InChI
InChI=1S/C10H12O2/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8,11H,1-2H3
InChIKey
ZUGZGQZJVSELKS-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

164.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.8
[M+Na]+ 187.07294 141.1
[M-H]- 163.07644 136.4
[M+NH4]+ 182.11754 153.9
[M+K]+ 203.04688 139.5
[M+H-H2O]+ 147.08098 128.7
[M+HCOO]- 209.08192 155.3
[M+CH3COO]- 223.09757 177.7
[M+Na-2H]- 185.05839 137.9
[M]+ 164.08317 133.6
[M]- 164.08427 133.6
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