CID 221368

6333-70-6

Structural Information

Molecular Formula
C9H10ClN3O
SMILES
CC1=C(C(=C(C(=N1)Cl)C#N)COC)N
InChI
InChI=1S/C9H10ClN3O/c1-5-8(12)7(4-14-2)6(3-11)9(10)13-5/h4,12H2,1-2H3
InChIKey
LKJVOGPXZAZBHH-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

211.05124 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05852 142.9
[M+Na]+ 234.04046 155.1
[M-H]- 210.04396 145.0
[M+NH4]+ 229.08506 159.6
[M+K]+ 250.01440 151.2
[M+H-H2O]+ 194.04850 130.9
[M+HCOO]- 256.04944 158.9
[M+CH3COO]- 270.06509 201.2
[M+Na-2H]- 232.02591 146.7
[M]+ 211.05069 140.8
[M]- 211.05179 140.8
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.