CID 3068820

1-amino-2-(2,6-dimethylphenylamino)propane dihydrochloride

Structural Information

Molecular Formula
C11H18N2
SMILES
CC1=C(C(=CC=C1)C)NC(C)CN
InChI
InChI=1S/C11H18N2/c1-8-5-4-6-9(2)11(8)13-10(3)7-12/h4-6,10,13H,7,12H2,1-3H3
InChIKey
MDEVVDJDOLHPEB-UHFFFAOYSA-N
Compound name
2-N-(2,6-dimethylphenyl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.9
[M+Na]+ 201.13622 148.4
[M-H]- 177.13972 145.3
[M+NH4]+ 196.18082 161.6
[M+K]+ 217.11016 146.0
[M+H-H2O]+ 161.14426 135.7
[M+HCOO]- 223.14520 166.2
[M+CH3COO]- 237.16085 189.6
[M+Na-2H]- 199.12167 145.8
[M]+ 178.14645 140.1
[M]- 178.14755 140.1
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