CID 3014812

(2-aminoethyl)(benzyl)methylamine

Structural Information

Molecular Formula
C10H16N2
SMILES
CN(CCN)CC1=CC=CC=C1
InChI
InChI=1S/C10H16N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,7-9,11H2,1H3
InChIKey
LIUGRXFEJOSPIA-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

160
Patents

164.13135 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.0
[M+Na]+ 187.12057 142.4
[M-H]- 163.12407 141.2
[M+NH4]+ 182.16517 157.4
[M+K]+ 203.09451 141.2
[M+H-H2O]+ 147.12861 130.3
[M+HCOO]- 209.12955 163.2
[M+CH3COO]- 223.14520 186.9
[M+Na-2H]- 185.10602 143.5
[M]+ 164.13080 136.0
[M]- 164.13190 136.0
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