CID 134365

83843-49-6

Structural Information

Molecular Formula
C13H22N2
SMILES
CC1=C(C(=CC=C1)C)NCC(C)N(C)C
InChI
InChI=1S/C13H22N2/c1-10-7-6-8-11(2)13(10)14-9-12(3)15(4)5/h6-8,12,14H,9H2,1-5H3
InChIKey
LEUPJNFHCWHPOC-UHFFFAOYSA-N
Compound name
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

5
Patents

206.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.18558 150.7
[M+Na]+ 229.16752 161.9
[M+NH4]+ 224.21212 159.4
[M+K]+ 245.14146 155.3
[M-H]- 205.17102 154.7
[M+Na-2H]- 227.15297 157.2
[M]+ 206.17775 153.4
[M]- 206.17885 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

literature stripe

Patent stripe

patents stripe