CID 28477444

884343-12-8

Structural Information

Molecular Formula
C8H13N3O
SMILES
CN(CCO)C1=CN=C(C=C1)N
InChI
InChI=1S/C8H13N3O/c1-11(4-5-12)7-2-3-8(9)10-6-7/h2-3,6,12H,4-5H2,1H3,(H2,9,10)
InChIKey
XHAHWJKEJRHFHD-UHFFFAOYSA-N
Compound name
2-[(6-aminopyridin-3-yl)-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

167.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 135.6
[M+Na]+ 190.09509 142.4
[M-H]- 166.09859 137.6
[M+NH4]+ 185.13969 154.1
[M+K]+ 206.06903 141.1
[M+H-H2O]+ 150.10313 128.5
[M+HCOO]- 212.10407 159.9
[M+CH3COO]- 226.11972 184.1
[M+Na-2H]- 188.08054 142.0
[M]+ 167.10532 134.3
[M]- 167.10642 134.3
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