CID 162109

51505-90-9

Structural Information

Molecular Formula
C11H19N3O
SMILES
C1=CC=C(C(=C1)CNCCNCCN)O
InChI
InChI=1S/C11H19N3O/c12-5-6-13-7-8-14-9-10-3-1-2-4-11(10)15/h1-4,13-15H,5-9,12H2
InChIKey
HHBMAADIVDZLKY-UHFFFAOYSA-N
Compound name
2-[[2-(2-aminoethylamino)ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

209.15282 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16010 146.6
[M+Na]+ 232.14204 151.0
[M-H]- 208.14554 147.9
[M+NH4]+ 227.18664 163.6
[M+K]+ 248.11598 147.7
[M+H-H2O]+ 192.15008 139.5
[M+HCOO]- 254.15102 171.6
[M+CH3COO]- 268.16667 192.4
[M+Na-2H]- 230.12749 152.4
[M]+ 209.15227 143.8
[M]- 209.15337 143.8
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

No patent data available for this compound.