CID 22730957

276884-47-0

Structural Information

Molecular Formula
C8H7NO
SMILES
C#CC(C1=CC=CC=N1)O
InChI
InChI=1S/C8H7NO/c1-2-8(10)7-5-3-4-6-9-7/h1,3-6,8,10H
InChIKey
NVIBNTUUTHBRCQ-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

133.05276 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 127.3
[M+Na]+ 156.04198 136.9
[M-H]- 132.04548 126.7
[M+NH4]+ 151.08658 144.6
[M+K]+ 172.01592 133.4
[M+H-H2O]+ 116.05002 115.2
[M+HCOO]- 178.05096 143.0
[M+CH3COO]- 192.06661 178.9
[M+Na-2H]- 154.02743 133.2
[M]+ 133.05221 120.2
[M]- 133.05331 120.2
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