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 138.3
[M+Na]+ 198.08894 145.3
[M-H]- 174.09244 140.1
[M+NH4]+ 193.13354 157.0
[M+K]+ 214.06288 142.5
[M+H-H2O]+ 158.09698 131.5
[M+HCOO]- 220.09792 160.6
[M+CH3COO]- 234.11357 181.1
[M+Na-2H]- 196.07439 144.4
[M]+ 175.09917 138.9
[M]- 175.10027 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.