CID 68349848

1805395-06-5

Structural Information

Molecular Formula
C7H7N3O
SMILES
COC1=C(C=CC(=N1)N)C#N
InChI
InChI=1S/C7H7N3O/c1-11-7-5(4-8)2-3-6(9)10-7/h2-3H,1H3,(H2,9,10)
InChIKey
VCRGKHIEUUIVQO-UHFFFAOYSA-N
Compound name
6-amino-2-methoxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

149.05891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 129.0
[M+Na]+ 172.04813 139.6
[M-H]- 148.05163 130.9
[M+NH4]+ 167.09273 146.6
[M+K]+ 188.02207 137.8
[M+H-H2O]+ 132.05617 116.0
[M+HCOO]- 194.05711 149.6
[M+CH3COO]- 208.07276 190.2
[M+Na-2H]- 170.03358 135.5
[M]+ 149.05836 123.8
[M]- 149.05946 123.8
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

patents stripe