CID 9496

N,n-dibutylguanidine nitrate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

171.17355 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 144.6
[M+Na]+ 194.162768 148.2
[M-H]- 170.166274 145.2
[M+NH4]+ 189.207373 164.4
[M+K]+ 210.136708 148.1
[M+H-H2O]+ 154.170810 138.1
[M+HCOO]- 216.171751 169.4
[M+CH3COO]- 230.187401 193.0
[M+Na-2H]- 192.148216 147.4
[M]+ 171.17300142 143.3
[M]- 171.17409858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe