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

134
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 145.3
[M+Na]+ 216.14712 154.6
[M+NH4]+ 211.19172 153.4
[M+K]+ 232.12106 147.5
[M-H]- 192.15062 149.1
[M+Na-2H]- 214.13257 152.0
[M]+ 193.15735 147.4
[M]- 193.15845 147.4
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