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

literature stripe

Patent stripe

patents stripe