CID 74888733

Pyridine, 5-chloro-2-ethynyl-3-methyl-

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]+ 152.02616 125.9
[M+Na]+ 174.00810 138.7
[M-H]- 150.01160 127.1
[M+NH4]+ 169.05270 144.8
[M+K]+ 189.98204 133.4
[M+H-H2O]+ 134.01614 114.9
[M+HCOO]- 196.01708 139.6
[M+CH3COO]- 210.03273 184.2
[M+Na-2H]- 171.99355 132.0
[M]+ 151.01833 122.3
[M]- 151.01943 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.