CID 44906

Octanediamidine, dihydrochloride

Structural Information

Molecular Formula
C10H22N4
SMILES
C(CCCCN=CN)CCCN=CN
InChI
InChI=1S/C10H22N4/c11-9-13-7-5-3-1-2-4-6-8-14-10-12/h9-10H,1-8H2,(H2,11,13)(H2,12,14)
InChIKey
LZELKEGDAZZHMY-UHFFFAOYSA-N
Compound name
N'-[8-(aminomethylideneamino)octyl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.18445 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.19173 147.3
[M+Na]+ 221.17367 151.0
[M-H]- 197.17717 148.5
[M+NH4]+ 216.21827 166.3
[M+K]+ 237.14761 149.6
[M+H-H2O]+ 181.18171 139.8
[M+HCOO]- 243.18265 175.9
[M+CH3COO]- 257.19830 199.9
[M+Na-2H]- 219.15912 152.2
[M]+ 198.18390 147.1
[M]- 198.18500 147.1
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.