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-amino-3-pyridinyl)-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 135.6
[M+Na]+ 190.095088 142.4
[M-H]- 166.098594 137.6
[M+NH4]+ 185.139693 154.1
[M+K]+ 206.069028 141.1
[M+H-H2O]+ 150.103130 128.5
[M+HCOO]- 212.104071 159.9
[M+CH3COO]- 226.119721 184.1
[M+Na-2H]- 188.080536 142.0
[M]+ 167.10532142 134.3
[M]- 167.10641858 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