CID 58408

Biguanide, 1-octyl-, monohydrochloride

Structural Information

Molecular Formula
C10H23N5
SMILES
CCCCCCCCN=C(N)N=C(N)N
InChI
InChI=1S/C10H23N5/c1-2-3-4-5-6-7-8-14-10(13)15-9(11)12/h2-8H2,1H3,(H6,11,12,13,14,15)
InChIKey
GGVQUXMNYQSGIN-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-octylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

213.19534 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.20262 153.5
[M+Na]+ 236.18456 155.9
[M-H]- 212.18806 154.3
[M+NH4]+ 231.22916 171.0
[M+K]+ 252.15850 155.4
[M+H-H2O]+ 196.19260 145.5
[M+HCOO]- 258.19354 180.4
[M+CH3COO]- 272.20919 205.6
[M+Na-2H]- 234.17001 154.8
[M]+ 213.19479 149.9
[M]- 213.19589 149.9
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.