CID 145791

Guanidine, n-butyl-n'-nitro-

Structural Information

Molecular Formula
C5H12N4O2
SMILES
CCCCN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C5H12N4O2/c1-2-3-4-7-5(6)8-9(10)11/h2-4H2,1H3,(H3,6,7,8)
InChIKey
KPQHRDFCWBWTBA-UHFFFAOYSA-N
Compound name
2-butyl-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

48
Patents

160.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10330 131.0
[M+Na]+ 183.08524 135.8
[M-H]- 159.08874 132.2
[M+NH4]+ 178.12984 150.4
[M+K]+ 199.05918 132.3
[M+H-H2O]+ 143.09328 129.4
[M+HCOO]- 205.09422 159.4
[M+CH3COO]- 219.10987 180.0
[M+Na-2H]- 181.07069 138.4
[M]+ 160.09547 127.7
[M]- 160.09657 127.7
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