CID 9570964

Biguanide, 1,1,5-tributyl-, monohydrochloride

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 173.4
[M+Na]+ 292.24715 174.4
[M-H]- 268.25065 175.6
[M+NH4]+ 287.29175 189.8
[M+K]+ 308.22109 174.7
[M+H-H2O]+ 252.25519 164.6
[M+HCOO]- 314.25613 200.1
[M+CH3COO]- 328.27178 220.8
[M+Na-2H]- 290.23260 172.9
[M]+ 269.25738 173.5
[M]- 269.25848 173.5
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.