CID 74888733

5-chloro-2-ethynyl-3-methylpyridine

Structural Information

Molecular Formula
C8H6ClN
SMILES
CC1=CC(=CN=C1C#C)Cl
InChI
InChI=1S/C8H6ClN/c1-3-8-6(2)4-7(9)5-10-8/h1,4-5H,2H3
InChIKey
MRVYFCYKUDRLNC-UHFFFAOYSA-N
Compound name
5-chloro-2-ethynyl-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.01888 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.026156 125.9
[M+Na]+ 174.008098 138.7
[M-H]- 150.011604 127.1
[M+NH4]+ 169.052703 144.8
[M+K]+ 189.982038 133.4
[M+H-H2O]+ 134.016140 114.9
[M+HCOO]- 196.017081 139.6
[M+CH3COO]- 210.032731 184.2
[M+Na-2H]- 171.993546 132.0
[M]+ 151.01833142 122.3
[M]- 151.01942858 122.3
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.