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]+ 187.191726 145.7
[M+Na]+ 209.173668 148.8
[M-H]- 185.177174 145.2
[M+NH4]+ 204.218273 164.1
[M+K]+ 225.147608 147.5
[M+H-H2O]+ 169.181710 138.6
[M+HCOO]- 231.182651 171.3
[M+CH3COO]- 245.198301 196.2
[M+Na-2H]- 207.159116 148.1
[M]+ 186.18390142 142.2
[M]- 186.18499858 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

literature stripe

Patent stripe

patents stripe