CID 3019827

Einecs 282-669-0

Structural Information

Molecular Formula
C13H22N2
SMILES
CCCC(C)C1=C(C(=C(C(=C1)C)N)C)N
InChI
InChI=1S/C13H22N2/c1-5-6-8(2)11-7-9(3)12(14)10(4)13(11)15/h7-8H,5-6,14-15H2,1-4H3
InChIKey
HPRFHIODVYDJFL-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-pentan-2-ylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.185576 151.2
[M+Na]+ 229.167518 158.8
[M-H]- 205.171024 154.5
[M+NH4]+ 224.212123 170.3
[M+K]+ 245.141458 155.7
[M+H-H2O]+ 189.175560 145.3
[M+HCOO]- 251.176501 174.1
[M+CH3COO]- 265.192151 197.6
[M+Na-2H]- 227.152966 151.5
[M]+ 206.17775142 149.9
[M]- 206.17884858 149.9
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

No patent data available for this compound.