CID 11159386

94445-74-6

Structural Information

Molecular Formula
C9H9NO
SMILES
CC(=O)/C=C/C1=CC=CC=N1
InChI
InChI=1S/C9H9NO/c1-8(11)5-6-9-4-2-3-7-10-9/h2-7H,1H3/b6-5+
InChIKey
JUISYXGZHYDPNI-AATRIKPKSA-N
Compound name
(E)-4-pyridin-2-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

147.06842 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 129.2
[M+Na]+ 170.05764 137.1
[M-H]- 146.06114 131.5
[M+NH4]+ 165.10224 149.2
[M+K]+ 186.03158 134.9
[M+H-H2O]+ 130.06568 122.9
[M+HCOO]- 192.06662 152.2
[M+CH3COO]- 206.08227 174.4
[M+Na-2H]- 168.04309 136.4
[M]+ 147.06787 129.0
[M]- 147.06897 129.0
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.