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]+ 168.11315 134.7
[M+Na]+ 190.09509 141.7
[M-H]- 166.09859 136.6
[M+NH4]+ 185.13969 153.2
[M+K]+ 206.06903 139.9
[M+H-H2O]+ 150.10313 127.5
[M+HCOO]- 212.10407 159.9
[M+CH3COO]- 226.11972 183.2
[M+Na-2H]- 188.08054 142.4
[M]+ 167.10532 134.0
[M]- 167.10642 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