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

119
Patents

228.20624 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.213516 154.3
[M+Na]+ 251.195458 155.9
[M-H]- 227.198964 154.6
[M+NH4]+ 246.240063 170.5
[M+K]+ 267.169398 155.3
[M+H-H2O]+ 211.203500 145.7
[M+HCOO]- 273.204441 181.5
[M+CH3COO]- 287.220091 211.1
[M+Na-2H]- 249.180906 155.1
[M]+ 228.20569142 149.1
[M]- 228.20678858 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

literature stripe

Patent stripe

patents stripe