CID 58402

1,5-dibutylbiguanide hydrochloride

Structural Information

Molecular Formula
C10H23N5
SMILES
CCCCN=C(N)NC(=NCCCC)N
InChI
InChI=1S/C10H23N5/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2/h3-8H2,1-2H3,(H5,11,12,13,14,15)
InChIKey
OOXNYFNNOQFVBR-UHFFFAOYSA-N
Compound name
2-butyl-1-(N'-butylcarbamimidoyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

213.19534 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.20262 154.0
[M+Na]+ 236.18456 156.5
[M-H]- 212.18806 155.4
[M+NH4]+ 231.22916 171.9
[M+K]+ 252.15850 156.3
[M+H-H2O]+ 196.19260 146.0
[M+HCOO]- 258.19354 181.5
[M+CH3COO]- 272.20919 205.5
[M+Na-2H]- 234.17001 156.3
[M]+ 213.19479 151.4
[M]- 213.19589 151.4
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