CID 135448158

N'-nitro-n-nitroso-n-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
2
Annotation Hits

12
References

11
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 130.4
[M+Na]+ 198.05976 135.0
[M-H]- 174.06326 133.6
[M+NH4]+ 193.10436 149.4
[M+K]+ 214.03370 133.3
[M+H-H2O]+ 158.06780 128.0
[M+HCOO]- 220.06874 161.5
[M+CH3COO]- 234.08439 187.2
[M+Na-2H]- 196.04521 139.1
[M]+ 175.06999 128.7
[M]- 175.07109 128.7
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.