CID 17748091

276884-35-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

133.05276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 127.3
[M+Na]+ 156.041978 136.9
[M-H]- 132.045484 126.7
[M+NH4]+ 151.086583 144.6
[M+K]+ 172.015918 133.4
[M+H-H2O]+ 116.050020 115.2
[M+HCOO]- 178.050961 143.0
[M+CH3COO]- 192.066611 178.9
[M+Na-2H]- 154.027426 133.2
[M]+ 133.05221142 120.2
[M]- 133.05330858 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

No literature data available for this compound.

Patent stripe

patents stripe