CID 32869

2-[8-(diaminomethylideneamino)octyl]guanidine

Structural Information

Molecular Formula
C10H24N6
SMILES
C(CCCCN=C(N)N)CCCN=C(N)N
InChI
InChI=1S/C10H24N6/c11-9(12)15-7-5-3-1-2-4-6-8-16-10(13)14/h1-8H2,(H4,11,12,15)(H4,13,14,16)
InChIKey
VUUYNASTGNDRSQ-UHFFFAOYSA-N
Compound name
2-[8-(diaminomethylideneamino)octyl]guanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

41
Patents

228.20624 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21352 154.3
[M+Na]+ 251.19546 155.9
[M-H]- 227.19896 154.6
[M+NH4]+ 246.24006 170.5
[M+K]+ 267.16940 155.3
[M+H-H2O]+ 211.20350 145.7
[M+HCOO]- 273.20444 181.5
[M+CH3COO]- 287.22009 211.1
[M+Na-2H]- 249.18091 155.1
[M]+ 228.20569 149.1
[M]- 228.20679 149.1
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.