CID 3023918

Einecs 303-357-3

Structural Information

Molecular Formula
C9H15N3O2
SMILES
COC1=NC(=C(C=C1)N)CNCCO
InChI
InChI=1S/C9H15N3O2/c1-14-9-3-2-7(10)8(12-9)6-11-4-5-13/h2-3,11,13H,4-6,10H2,1H3
InChIKey
UBMOLIKLEVVHQP-UHFFFAOYSA-N
Compound name
2-[(3-amino-6-methoxy-2-pyridinyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.11642 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 142.6
[M+Na]+ 220.105638 149.7
[M-H]- 196.109144 143.3
[M+NH4]+ 215.150243 159.5
[M+K]+ 236.079578 147.3
[M+H-H2O]+ 180.113680 135.5
[M+HCOO]- 242.114621 166.3
[M+CH3COO]- 256.130271 187.1
[M+Na-2H]- 218.091086 148.6
[M]+ 197.11587142 142.3
[M]- 197.11696858 142.3
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