CID 139596653

1,1-bis(8-aminooctyl)guanidine

Structural Information

Molecular Formula
C17H39N5
SMILES
C(CCCCN(CCCCCCCCN)C(=N)N)CCCN
InChI
InChI=1S/C17H39N5/c18-13-9-5-1-3-7-11-15-22(17(20)21)16-12-8-4-2-6-10-14-19/h1-16,18-19H2,(H3,20,21)
InChIKey
PQJKZAKANYIISG-UHFFFAOYSA-N
Compound name
1,1-bis(8-aminooctyl)guanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

313.32056 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.32784 183.3
[M+Na]+ 336.30978 182.0
[M-H]- 312.31328 181.3
[M+NH4]+ 331.35438 196.1
[M+K]+ 352.28372 179.6
[M+H-H2O]+ 296.31782 174.2
[M+HCOO]- 358.31876 206.2
[M+CH3COO]- 372.33441 226.4
[M+Na-2H]- 334.29523 180.8
[M]+ 313.32001 181.3
[M]- 313.32111 181.3
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

No patent data available for this compound.