CID 3023920

2,3-diamino-6-methoxypyridine

Structural Information

Molecular Formula
C6H9N3O
SMILES
COC1=NC(=C(C=C1)N)N
InChI
InChI=1S/C6H9N3O/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,7H2,1H3,(H2,8,9)
InChIKey
WEPOCTWSRWLQLL-UHFFFAOYSA-N
Compound name
6-methoxypyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5261
Patents

139.07455 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe