CID 90189

2,5-hexanediamine, 2,5-dimethyl-

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(C)(CCC(C)(C)N)N
InChI
InChI=1S/C8H20N2/c1-7(2,9)5-6-8(3,4)10/h5-6,9-10H2,1-4H3
InChIKey
JWTVQZQPKHXGFM-UHFFFAOYSA-N
Compound name
2,5-dimethylhexane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3990
Patents

144.16264 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.16992 136.1
[M+Na]+ 167.15186 141.7
[M-H]- 143.15536 135.5
[M+NH4]+ 162.19646 156.9
[M+K]+ 183.12580 140.9
[M+H-H2O]+ 127.15990 131.9
[M+HCOO]- 189.16084 156.8
[M+CH3COO]- 203.17649 182.4
[M+Na-2H]- 165.13731 141.7
[M]+ 144.16209 133.4
[M]- 144.16319 133.4
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