CID 167727613

N''-(4-aminoheptyl)guanidine dihydrochloride

Structural Information

Molecular Formula
C8H20N4
SMILES
CCCC(CCCN=C(N)N)N
InChI
InChI=1S/C8H20N4/c1-2-4-7(9)5-3-6-12-8(10)11/h7H,2-6,9H2,1H3,(H4,10,11,12)
InChIKey
SIUZZNAPLZBUFU-UHFFFAOYSA-N
Compound name
2-(4-aminoheptyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.1688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.176076 143.1
[M+Na]+ 195.158018 146.4
[M-H]- 171.161524 142.8
[M+NH4]+ 190.202623 161.9
[M+K]+ 211.131958 145.8
[M+H-H2O]+ 155.166060 136.2
[M+HCOO]- 217.167001 168.0
[M+CH3COO]- 231.182651 194.0
[M+Na-2H]- 193.143466 144.6
[M]+ 172.16825142 138.5
[M]- 172.16934858 138.5
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.