CID 53705917

(2-amino-2-phenylethyl)(ethyl)amine

Structural Information

Molecular Formula
C10H16N2
SMILES
CCNCC(C1=CC=CC=C1)N
InChI
InChI=1S/C10H16N2/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7,10,12H,2,8,11H2,1H3
InChIKey
BXEFXICITKYXKB-UHFFFAOYSA-N
Compound name
N'-ethyl-1-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

164.13135 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.3
[M+Na]+ 187.12057 142.3
[M-H]- 163.12407 140.1
[M+NH4]+ 182.16517 157.0
[M+K]+ 203.09451 140.2
[M+H-H2O]+ 147.12861 130.8
[M+HCOO]- 209.12955 162.0
[M+CH3COO]- 223.14520 184.3
[M+Na-2H]- 185.10602 143.3
[M]+ 164.13080 134.4
[M]- 164.13190 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe