CID 516375

Hexamethylene biguanide

Structural Information

Molecular Formula
C10H24N10
SMILES
C(CCCN=C(N)N=C(N)N)CCN=C(N)N=C(N)N
InChI
InChI=1S/C10H24N10/c11-7(12)19-9(15)17-5-3-1-2-4-6-18-10(16)20-8(13)14/h1-6H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20)
InChIKey
RXGSAYBOEDPICZ-UHFFFAOYSA-N
Compound name
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1467
Patents

284.21854 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.22582 162.2
[M+Na]+ 307.20776 162.2
[M-H]- 283.21126 164.8
[M+NH4]+ 302.25236 175.4
[M+K]+ 323.18170 164.3
[M+H-H2O]+ 267.21580 151.4
[M+HCOO]- 329.21674 192.9
[M+CH3COO]- 343.23239 234.1
[M+Na-2H]- 305.19321 161.2
[M]+ 284.21799 153.0
[M]- 284.21909 153.0
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