CID 135448158

3-nitro-1-nitroso-1-propylguanidine

Structural Information

Molecular Formula
C4H9N5O3
SMILES
CCCN(C(=N)N[N+](=O)[O-])N=O
InChI
InChI=1S/C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(11)12/h2-3H2,1H3,(H2,5,6)
InChIKey
PVVCHFOAZOVDRK-UHFFFAOYSA-N
Compound name
3-nitro-1-nitroso-1-propylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

10
Patents

175.07054 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07782 134.0
[M+Na]+ 198.05976 140.5
[M+NH4]+ 193.10436 139.7
[M+K]+ 214.03370 140.4
[M-H]- 174.06326 135.5
[M+Na-2H]- 196.04521 136.8
[M]+ 175.06999 134.5
[M]- 175.07109 134.5
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