CID 64315668

1-(pyridin-2-yl)hex-5-en-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C=CCCC(=O)CC1=CC=CC=N1
InChI
InChI=1S/C11H13NO/c1-2-3-7-11(13)9-10-6-4-5-8-12-10/h2,4-6,8H,1,3,7,9H2
InChIKey
HAAXSDCNFFYDHT-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylhex-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 138.3
[M+Na]+ 198.088938 145.3
[M-H]- 174.092444 140.1
[M+NH4]+ 193.133543 157.0
[M+K]+ 214.062878 142.5
[M+H-H2O]+ 158.096980 131.5
[M+HCOO]- 220.097921 160.6
[M+CH3COO]- 234.113571 181.1
[M+Na-2H]- 196.074386 144.4
[M]+ 175.09917142 138.9
[M]- 175.10026858 138.9
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.