CID 69133

2'-hydroxypropiophenone

Structural Information

Molecular Formula
C9H10O2
SMILES
CCC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H3
InChIKey
KDUWXMIHHIVXER-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1880
Patents

150.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 129.1
[M+Na]+ 173.05730 137.1
[M-H]- 149.06080 131.8
[M+NH4]+ 168.10190 149.9
[M+K]+ 189.03124 135.3
[M+H-H2O]+ 133.06534 124.1
[M+HCOO]- 195.06628 151.9
[M+CH3COO]- 209.08193 173.8
[M+Na-2H]- 171.04275 135.0
[M]+ 150.06753 129.1
[M]- 150.06863 129.1
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