CID 21648

4-(4-hydroxyphenyl)-2-butanone

Structural Information

Molecular Formula
C10H12O2
SMILES
CC(=O)CCC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
InChIKey
NJGBTKGETPDVIK-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

116
References

14343
Patents

164.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.9
[M+Na]+ 187.07294 141.4
[M-H]- 163.07644 136.4
[M+NH4]+ 182.11754 154.0
[M+K]+ 203.04688 139.3
[M+H-H2O]+ 147.08098 128.6
[M+HCOO]- 209.08192 156.3
[M+CH3COO]- 223.09757 176.8
[M+Na-2H]- 185.05839 139.2
[M]+ 164.08317 134.2
[M]- 164.08427 134.2
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