CID 520400

2-chloro-6-methylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
CC1=NC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKey
YSBNBAYNISAUIT-UHFFFAOYSA-N
Compound name
2-chloro-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

626
Patents

152.01413 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 126.4
[M+Na]+ 175.00335 139.0
[M-H]- 151.00685 128.8
[M+NH4]+ 170.04795 145.5
[M+K]+ 190.97729 134.8
[M+H-H2O]+ 135.01139 114.8
[M+HCOO]- 197.01233 142.5
[M+CH3COO]- 211.02798 188.1
[M+Na-2H]- 172.98880 133.5
[M]+ 152.01358 123.4
[M]- 152.01468 123.4
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

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