CID 28318597

N4-(2-methoxyethyl)pyridine-3,4-diamine

Structural Information

Molecular Formula
C8H13N3O
SMILES
COCCNC1=C(C=NC=C1)N
InChI
InChI=1S/C8H13N3O/c1-12-5-4-11-8-2-3-10-6-7(8)9/h2-3,6H,4-5,9H2,1H3,(H,10,11)
InChIKey
XPQGGJHFUOMKTM-UHFFFAOYSA-N
Compound name
4-N-(2-methoxyethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.10587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 134.7
[M+Na]+ 190.095088 141.7
[M-H]- 166.098594 136.6
[M+NH4]+ 185.139693 153.2
[M+K]+ 206.069028 139.9
[M+H-H2O]+ 150.103130 127.5
[M+HCOO]- 212.104071 159.9
[M+CH3COO]- 226.119721 183.2
[M+Na-2H]- 188.080536 142.4
[M]+ 167.10532142 134.0
[M]- 167.10641858 134.0
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