CID 3152197

N-(3-aminopropyl)-n-ethylaniline

Structural Information

Molecular Formula
C11H18N2
SMILES
CCN(CCCN)C1=CC=CC=C1
InChI
InChI=1S/C11H18N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,12H2,1H3
InChIKey
GHGKUGQRRXYXEJ-UHFFFAOYSA-N
Compound name
N'-ethyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

178.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.7
[M+Na]+ 201.136218 146.6
[M-H]- 177.139724 145.6
[M+NH4]+ 196.180823 161.5
[M+K]+ 217.110158 145.2
[M+H-H2O]+ 161.144260 134.7
[M+HCOO]- 223.145201 167.5
[M+CH3COO]- 237.160851 189.9
[M+Na-2H]- 199.121666 147.5
[M]+ 178.14645142 141.0
[M]- 178.14754858 141.0
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