CID 21520836

N-ethyl-n-[3-(methylamino)propyl]aniline

Structural Information

Molecular Formula
C12H20N2
SMILES
CCN(CCCNC)C1=CC=CC=C1
InChI
InChI=1S/C12H20N2/c1-3-14(11-7-10-13-2)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKey
MVZSKUUGENFDFG-UHFFFAOYSA-N
Compound name
N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 145.9
[M+Na]+ 215.15186 150.4
[M-H]- 191.15536 150.2
[M+NH4]+ 210.19646 165.4
[M+K]+ 231.12580 149.1
[M+H-H2O]+ 175.15990 138.7
[M+HCOO]- 237.16084 172.0
[M+CH3COO]- 251.17649 193.7
[M+Na-2H]- 213.13731 152.3
[M]+ 192.16209 146.6
[M]- 192.16319 146.6
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