CID 10148998

2-methoxypyridine-3,4-diamine

Structural Information

Molecular Formula
C6H9N3O
SMILES
COC1=NC=CC(=C1N)N
InChI
InChI=1S/C6H9N3O/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,8H2,1H3,(H2,7,9)
InChIKey
YAIFNSSQKVRCSO-UHFFFAOYSA-N
Compound name
2-methoxypyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.3
[M+Na]+ 162.063768 135.3
[M-H]- 138.067274 128.6
[M+NH4]+ 157.108373 146.1
[M+K]+ 178.037708 133.6
[M+H-H2O]+ 122.071810 119.9
[M+HCOO]- 184.072751 151.7
[M+CH3COO]- 198.088401 177.7
[M+Na-2H]- 160.049216 133.3
[M]+ 139.07400142 124.4
[M]- 139.07509858 124.4
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