CID 169816

36790-28-0

Structural Information

Molecular Formula
C13H22N2
SMILES
CCN(CCN(C)C)C1=CC=CC(=C1)C
InChI
InChI=1S/C13H22N2/c1-5-15(10-9-14(3)4)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3
InChIKey
PFIBWRMTMDDALJ-UHFFFAOYSA-N
Compound name
N'-ethyl-N,N-dimethyl-N'-(3-methylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

206.1783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.185576 150.7
[M+Na]+ 229.167518 155.9
[M-H]- 205.171024 156.7
[M+NH4]+ 224.212123 170.6
[M+K]+ 245.141458 155.7
[M+H-H2O]+ 189.175560 143.3
[M+HCOO]- 251.176501 176.9
[M+CH3COO]- 265.192151 201.4
[M+Na-2H]- 227.152966 155.0
[M]+ 206.17775142 153.4
[M]- 206.17884858 153.4
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