CID 126434

1-nitroso-1-ethyl-3-methylurea

Structural Information

Molecular Formula
C4H9N3O2
SMILES
CCN(C(=O)NC)N=O
InChI
InChI=1S/C4H9N3O2/c1-3-7(6-9)4(8)5-2/h3H2,1-2H3,(H,5,8)
InChIKey
MQLQMSXXDOSWKY-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

131.06947 Da
Monoisotopic Mass

0.7
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 128.4
[M+NH4]+ 149.103293 147.2
[M+K]+ 170.032628 134.0
[M+H-H2O]+ 114.066730 118.8
[M+HCOO]- 176.067671 154.2
[M+CH3COO]- 190.083321 183.6
[M+Na-2H]- 152.044136 132.1
[M]+ 131.06892142 126.8
[M]- 131.07001858 126.8
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

No patent data available for this compound.