CID 3043608

55875-52-0

Structural Information

Molecular Formula
C11H18N2
SMILES
CCNC1=CC=C(C=C1)CC(C)N
InChI
InChI=1S/C11H18N2/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9,13H,3,8,12H2,1-2H3
InChIKey
LFMHJNRYSIBMOP-UHFFFAOYSA-N
Compound name
4-(2-aminopropyl)-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.9
[M+Na]+ 201.136218 147.5
[M-H]- 177.139724 144.9
[M+NH4]+ 196.180823 161.4
[M+K]+ 217.110158 145.1
[M+H-H2O]+ 161.144260 135.5
[M+HCOO]- 223.145201 166.2
[M+CH3COO]- 237.160851 188.5
[M+Na-2H]- 199.121666 146.6
[M]+ 178.14645142 139.8
[M]- 178.14754858 139.8
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

No patent data available for this compound.