CID 37734

1-phenylbut-3-en-2-one

Structural Information

Molecular Formula
C10H10O
SMILES
C=CC(=O)CC1=CC=CC=C1
InChI
InChI=1S/C10H10O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKey
PTUXNCQDACBMKP-UHFFFAOYSA-N
Compound name
1-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

383
Patents

146.07317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 129.1
[M+Na]+ 169.06239 136.5
[M-H]- 145.06589 132.7
[M+NH4]+ 164.10699 150.3
[M+K]+ 185.03633 134.2
[M+H-H2O]+ 129.07043 123.6
[M+HCOO]- 191.07137 153.0
[M+CH3COO]- 205.08702 175.5
[M+Na-2H]- 167.04784 135.7
[M]+ 146.07262 128.8
[M]- 146.07372 128.8
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