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]+ 176.10700 139.5
[M+Na]+ 198.08894 152.2
[M+NH4]+ 193.13354 147.4
[M+K]+ 214.06288 145.0
[M-H]- 174.09244 140.8
[M+Na-2H]- 196.07439 146.3
[M]+ 175.09917 141.6
[M]- 175.10027 141.6
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.