CID 14771682

34331-58-3

Structural Information

Molecular Formula
C9H21N3
SMILES
CCCCNC(=NCCCC)N
InChI
InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKey
HXEJAEDEMWCUTP-UHFFFAOYSA-N
Compound name
1,2-dibutylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

137
References

357
Patents

171.17355 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 143.6
[M+Na]+ 194.162768 147.6
[M-H]- 170.166274 144.2
[M+NH4]+ 189.207373 163.6
[M+K]+ 210.136708 146.9
[M+H-H2O]+ 154.170810 137.1
[M+HCOO]- 216.171751 169.4
[M+CH3COO]- 230.187401 191.5
[M+Na-2H]- 192.148216 147.8
[M]+ 171.17300142 142.9
[M]- 171.17409858 142.9
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.