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]+ 150.066186 129.0
[M+Na]+ 172.048128 139.6
[M-H]- 148.051634 130.9
[M+NH4]+ 167.092733 146.6
[M+K]+ 188.022068 137.8
[M+H-H2O]+ 132.056170 116.0
[M+HCOO]- 194.057111 149.6
[M+CH3COO]- 208.072761 190.2
[M+Na-2H]- 170.033576 135.5
[M]+ 149.05836142 123.8
[M]- 149.05945858 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