CID 66016

N-benzyl-n,n'-dimethylethylenediamine

Structural Information

Molecular Formula
C11H18N2
SMILES
CNCCN(C)CC1=CC=CC=C1
InChI
InChI=1S/C11H18N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
PVFIKWLTVKSXED-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

198
Patents

178.147 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.3
[M+Na]+ 201.136218 146.2
[M-H]- 177.139724 145.8
[M+NH4]+ 196.180823 161.4
[M+K]+ 217.110158 145.1
[M+H-H2O]+ 161.144260 134.3
[M+HCOO]- 223.145201 167.7
[M+CH3COO]- 237.160851 190.6
[M+Na-2H]- 199.121666 148.2
[M]+ 178.14645142 141.6
[M]- 178.14754858 141.6
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