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]+ 132.07675 124.9
[M+Na]+ 154.05869 131.3
[M-H]- 130.06219 128.4
[M+NH4]+ 149.10329 147.2
[M+K]+ 170.03263 134.0
[M+H-H2O]+ 114.06673 118.8
[M+HCOO]- 176.06767 154.2
[M+CH3COO]- 190.08332 183.6
[M+Na-2H]- 152.04414 132.1
[M]+ 131.06892 126.8
[M]- 131.07002 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.