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

0
Patents

178.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.9
[M+Na]+ 201.13622 147.5
[M-H]- 177.13972 144.9
[M+NH4]+ 196.18082 161.4
[M+K]+ 217.11016 145.1
[M+H-H2O]+ 161.14426 135.5
[M+HCOO]- 223.14520 166.2
[M+CH3COO]- 237.16085 188.5
[M+Na-2H]- 199.12167 146.6
[M]+ 178.14645 139.8
[M]- 178.14755 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.