CID 11970421

1-(2-ethylhexyl)biguanide monohydrochloride

Structural Information

Molecular Formula
C10H23N5
SMILES
CCCCC(CC)CN=C(N)N=C(N)N
InChI
InChI=1S/C10H23N5/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKey
IPVTWNBWVXXRLE-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

213.19534 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.20262 154.9
[M+Na]+ 236.18456 158.4
[M+NH4]+ 231.22916 160.2
[M+K]+ 252.15850 154.9
[M-H]- 212.18806 155.7
[M+Na-2H]- 234.17001 155.6
[M]+ 213.19479 154.7
[M]- 213.19589 154.7
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

patents stripe