CID 3023755

2,4-dimethylhexane-2,5-diamine

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(CC(C)(C)N)C(C)N
InChI
InChI=1S/C8H20N2/c1-6(7(2)9)5-8(3,4)10/h6-7H,5,9-10H2,1-4H3
InChIKey
HPQKNNWENQFDLP-UHFFFAOYSA-N
Compound name
2,4-dimethylhexane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.16264 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.169916 137.4
[M+Na]+ 167.151858 142.1
[M-H]- 143.155364 136.7
[M+NH4]+ 162.196463 158.0
[M+K]+ 183.125798 142.0
[M+H-H2O]+ 127.159900 132.7
[M+HCOO]- 189.160841 157.7
[M+CH3COO]- 203.176491 183.6
[M+Na-2H]- 165.137306 139.7
[M]+ 144.16209142 133.9
[M]- 144.16318858 133.9
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

patents stripe