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]+ 173.17608 143.1
[M+Na]+ 195.15802 146.4
[M-H]- 171.16152 142.8
[M+NH4]+ 190.20262 161.9
[M+K]+ 211.13196 145.8
[M+H-H2O]+ 155.16606 136.2
[M+HCOO]- 217.16700 168.0
[M+CH3COO]- 231.18265 194.0
[M+Na-2H]- 193.14347 144.6
[M]+ 172.16825 138.5
[M]- 172.16935 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.