CID 24250

1,8-diaminooctane

Structural Information

Molecular Formula
C8H20N2
SMILES
C(CCCCN)CCCN
InChI
InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKey
PWGJDPKCLMLPJW-UHFFFAOYSA-N
Compound name
octane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

44
References

53405
Patents

144.16264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.16992 136.0
[M+Na]+ 167.15186 140.7
[M-H]- 143.15536 134.7
[M+NH4]+ 162.19646 156.5
[M+K]+ 183.12580 139.1
[M+H-H2O]+ 127.15990 130.4
[M+HCOO]- 189.16084 159.9
[M+CH3COO]- 203.17649 181.6
[M+Na-2H]- 165.13731 140.3
[M]+ 144.16209 134.3
[M]- 144.16319 134.3
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.