CID 4041511

[2-(dimethylamino)ethyl][(3-methylphenyl)methyl]amine

Structural Information

Molecular Formula
C12H20N2
SMILES
CC1=CC(=CC=C1)CNCCN(C)C
InChI
InChI=1S/C12H20N2/c1-11-5-4-6-12(9-11)10-13-7-8-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKey
DOZIDNONBNTWCD-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

192.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 145.8
[M+Na]+ 215.151858 151.2
[M-H]- 191.155364 150.5
[M+NH4]+ 210.196463 165.6
[M+K]+ 231.125798 149.9
[M+H-H2O]+ 175.159900 138.8
[M+HCOO]- 237.160841 171.9
[M+CH3COO]- 251.176491 194.8
[M+Na-2H]- 213.137306 151.4
[M]+ 192.16209142 146.9
[M]- 192.16318858 146.9
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