CID 9570964

1,1,5-tributylbiguanide hydrochloride

Structural Information

Molecular Formula
C14H31N5
SMILES
CCCCN=C(N)/N=C(\N)/N(CCCC)CCCC
InChI
InChI=1S/C14H31N5/c1-4-7-10-17-13(15)18-14(16)19(11-8-5-2)12-9-6-3/h4-12H2,1-3H3,(H4,15,16,17,18)
InChIKey
QFZFDGALSHDZTK-UHFFFAOYSA-N
Compound name
1,1-dibutyl-2-(N'-butylcarbamimidoyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.25793 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.26521 172.4
[M+Na]+ 292.24715 176.0
[M+NH4]+ 287.29175 177.6
[M+K]+ 308.22109 170.9
[M-H]- 268.25065 173.8
[M+Na-2H]- 290.23260 173.2
[M]+ 269.25738 172.5
[M]- 269.25848 172.5
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.