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]+ 193.16992 145.8
[M+Na]+ 215.15186 151.2
[M-H]- 191.15536 150.5
[M+NH4]+ 210.19646 165.6
[M+K]+ 231.12580 149.9
[M+H-H2O]+ 175.15990 138.8
[M+HCOO]- 237.16084 171.9
[M+CH3COO]- 251.17649 194.8
[M+Na-2H]- 213.13731 151.4
[M]+ 192.16209 146.9
[M]- 192.16319 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