CID 5743760

6-methoxy-2-n-methylpyridine-2,3-diamine

Structural Information

Molecular Formula
C7H11N3O
SMILES
CNC1=C(C=CC(=N1)OC)N
InChI
InChI=1S/C7H11N3O/c1-9-7-5(8)3-4-6(10-7)11-2/h3-4H,8H2,1-2H3,(H,9,10)
InChIKey
ATCBPVDYYNJHSG-UHFFFAOYSA-N
Compound name
6-methoxy-2-N-methylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7896
Patents

153.09021 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 130.5
[M+Na]+ 176.079428 139.0
[M-H]- 152.082934 133.0
[M+NH4]+ 171.124033 150.0
[M+K]+ 192.053368 137.4
[M+H-H2O]+ 136.087470 123.8
[M+HCOO]- 198.088411 156.1
[M+CH3COO]- 212.104061 181.3
[M+Na-2H]- 174.064876 138.0
[M]+ 153.08966142 129.9
[M]- 153.09075858 129.9
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