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

23
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

literature stripe

Patent stripe

patents stripe