CID 10035350

2-(8-aminooctyl)guanidine

Structural Information

Molecular Formula
C9H22N4
SMILES
C(CCCCN=C(N)N)CCCN
InChI
InChI=1S/C9H22N4/c10-7-5-3-1-2-4-6-8-13-9(11)12/h1-8,10H2,(H4,11,12,13)
InChIKey
XHTVDMDQVFYPOY-UHFFFAOYSA-N
Compound name
2-(8-aminooctyl)guanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

10
Patents

186.18445 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.19173 145.7
[M+Na]+ 209.17367 148.8
[M-H]- 185.17717 145.2
[M+NH4]+ 204.21827 164.1
[M+K]+ 225.14761 147.5
[M+H-H2O]+ 169.18171 138.6
[M+HCOO]- 231.18265 171.3
[M+CH3COO]- 245.19830 196.2
[M+Na-2H]- 207.15912 148.1
[M]+ 186.18390 142.2
[M]- 186.18500 142.2
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.