CID 3023920

6-methoxypyridine-2,3-diamine

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

5770
Patents

139.07455 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe