CID 28772623

Dtxsid501365436

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.4
[M+Na]+ 201.136218 148.3
[M-H]- 177.139724 146.2
[M+NH4]+ 196.180823 161.9
[M+K]+ 217.110158 146.9
[M+H-H2O]+ 161.144260 135.0
[M+HCOO]- 223.145201 167.2
[M+CH3COO]- 237.160851 192.2
[M+Na-2H]- 199.121666 145.8
[M]+ 178.14645142 141.5
[M]- 178.14754858 141.5
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

No patent data available for this compound.