CID 12152119

Ns00066183

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CN(CCO)C1=C(C=CC(=N1)OC)N
InChI
InChI=1S/C9H15N3O2/c1-12(5-6-13)9-7(10)3-4-8(11-9)14-2/h3-4,13H,5-6,10H2,1-2H3
InChIKey
CJMDNBDOBQUXQR-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

9
Patents

197.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 143.1
[M+Na]+ 220.105638 150.3
[M-H]- 196.109144 145.3
[M+NH4]+ 215.150243 160.6
[M+K]+ 236.079578 149.4
[M+H-H2O]+ 180.113680 135.8
[M+HCOO]- 242.114621 167.3
[M+CH3COO]- 256.130271 190.5
[M+Na-2H]- 218.091086 148.2
[M]+ 197.11587142 144.0
[M]- 197.11696858 144.0
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