CID 104823

Urea, (nitrosomethyl)-

Structural Information

Molecular Formula
C2H5N3O2
SMILES
C(NC(=O)N)N=O
InChI
InChI=1S/C2H5N3O2/c3-2(6)4-1-5-7/h1H2,(H3,3,4,6)
InChIKey
RHGYANGWZZFRIJ-UHFFFAOYSA-N
Compound name
nitrosomethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3273
References

1093
Patents

103.03818 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.045456 115.2
[M+Na]+ 126.027398 122.2
[M-H]- 102.030904 117.0
[M+NH4]+ 121.072003 137.6
[M+K]+ 142.001338 123.6
[M+H-H2O]+ 86.035440 109.6
[M+HCOO]- 148.036381 144.0
[M+CH3COO]- 162.052031 174.0
[M+Na-2H]- 124.012846 123.2
[M]+ 103.03763142 114.1
[M]- 103.03872858 114.1
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