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

92
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.3
[M+Na]+ 162.06377 135.3
[M-H]- 138.06727 128.6
[M+NH4]+ 157.10837 146.1
[M+K]+ 178.03771 133.6
[M+H-H2O]+ 122.07181 119.9
[M+HCOO]- 184.07275 151.7
[M+CH3COO]- 198.08840 177.7
[M+Na-2H]- 160.04922 133.3
[M]+ 139.07400 124.4
[M]- 139.07510 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