CID 95648

3-buten-2-one, 4-(4-hydroxyphenyl)-

Structural Information

Molecular Formula
C10H10O2
SMILES
CC(=O)C=CC1=CC=C(C=C1)O
InChI
InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3
InChIKey
OCNIKEFATSKIBE-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

923
Patents

162.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 132.6
[M+Na]+ 185.05730 140.5
[M-H]- 161.06080 135.2
[M+NH4]+ 180.10190 152.9
[M+K]+ 201.03124 137.8
[M+H-H2O]+ 145.06534 127.4
[M+HCOO]- 207.06628 155.3
[M+CH3COO]- 221.08193 175.2
[M+Na-2H]- 183.04275 138.0
[M]+ 162.06753 132.2
[M]- 162.06863 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.