CID 13161770

2-(prop-1-yn-1-yl)pyridine

Structural Information

Molecular Formula
C8H7N
SMILES
CC#CC1=CC=CC=N1
InChI
InChI=1S/C8H7N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,1H3
InChIKey
YHEGACSTMZIQJY-UHFFFAOYSA-N
Compound name
2-prop-1-ynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

117.057846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.065122 122.0
[M+Na]+ 140.047064 132.5
[M-H]- 116.050570 122.7
[M+NH4]+ 135.091669 140.8
[M+K]+ 156.021004 128.9
[M+H-H2O]+ 100.055106 109.9
[M+HCOO]- 162.056047 139.8
[M+CH3COO]- 176.071697 178.2
[M+Na-2H]- 138.032512 129.8
[M]+ 117.05729742 116.0
[M]- 117.05839458 116.0
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