CID 38292

1-benzyldiethylenetriamine

Structural Information

Molecular Formula
C11H19N3
SMILES
C1=CC=C(C=C1)CNCCNCCN
InChI
InChI=1S/C11H19N3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,13-14H,6-10,12H2
InChIKey
IZBVZYNGZBUGAZ-UHFFFAOYSA-N
Compound name
N'-[2-(benzylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

193.1579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.16518 143.1
[M+Na]+ 216.14712 147.1
[M-H]- 192.15062 145.5
[M+NH4]+ 211.19172 161.3
[M+K]+ 232.12106 144.2
[M+H-H2O]+ 176.15516 135.8
[M+HCOO]- 238.15610 169.5
[M+CH3COO]- 252.17175 191.6
[M+Na-2H]- 214.13257 150.3
[M]+ 193.15735 140.5
[M]- 193.15845 140.5
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