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]+ 314.327836 183.3
[M+Na]+ 336.309778 182.0
[M-H]- 312.313284 181.3
[M+NH4]+ 331.354383 196.1
[M+K]+ 352.283718 179.6
[M+H-H2O]+ 296.317820 174.2
[M+HCOO]- 358.318761 206.2
[M+CH3COO]- 372.334411 226.4
[M+Na-2H]- 334.295226 180.8
[M]+ 313.32001142 181.3
[M]- 313.32110858 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.