CID 62372

Nitrourea

Structural Information

Molecular Formula
CH3N3O3
SMILES
C(=O)(N)N[N+](=O)[O-]
InChI
InChI=1S/CH3N3O3/c2-1(5)3-4(6)7/h(H3,2,3,5)
InChIKey
CMUOJBJRZUHRMU-UHFFFAOYSA-N
Compound name
nitrourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1992
Patents

105.01744 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.02472 112.2
[M+Na]+ 128.00666 118.9
[M-H]- 104.01016 112.6
[M+NH4]+ 123.05126 133.3
[M+K]+ 143.98060 115.9
[M+H-H2O]+ 88.014700 111.9
[M+HCOO]- 150.01564 139.7
[M+CH3COO]- 164.03129 162.8
[M+Na-2H]- 125.99211 120.9
[M]+ 105.01689 107.7
[M]- 105.01799 107.7
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