CID 13157

1-nitroso-1-propylurea

Structural Information

Molecular Formula
C4H9N3O2
SMILES
CCCN(C(=O)N)N=O
InChI
InChI=1S/C4H9N3O2/c1-2-3-7(6-9)4(5)8/h2-3H2,1H3,(H2,5,8)
InChIKey
YGGSSUISOYLCBF-UHFFFAOYSA-N
Compound name
1-nitroso-1-propylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

37
Patents

131.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.076746 124.9
[M+Na]+ 154.058688 131.3
[M-H]- 130.062194 127.9
[M+NH4]+ 149.103293 146.9
[M+K]+ 170.032628 133.6
[M+H-H2O]+ 114.066730 118.8
[M+HCOO]- 176.067671 153.6
[M+CH3COO]- 190.083321 183.6
[M+Na-2H]- 152.044136 131.1
[M]+ 131.06892142 125.8
[M]- 131.07001858 125.8
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