CID 39588

N',n'-dimethyl-n-ethyl-n-nitrosourea

Structural Information

Molecular Formula
C5H11N3O2
SMILES
CCN(C(=O)N(C)C)N=O
InChI
InChI=1S/C5H11N3O2/c1-4-8(6-10)5(9)7(2)3/h4H2,1-3H3
InChIKey
IQQINRUQUTUNST-UHFFFAOYSA-N
Compound name
1-ethyl-3,3-dimethyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

145.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09241 129.6
[M+Na]+ 168.07435 135.9
[M-H]- 144.07785 134.5
[M+NH4]+ 163.11895 152.1
[M+K]+ 184.04829 139.8
[M+H-H2O]+ 128.08239 123.3
[M+HCOO]- 190.08333 159.2
[M+CH3COO]- 204.09898 190.2
[M+Na-2H]- 166.05980 135.6
[M]+ 145.08458 133.2
[M]- 145.08568 133.2
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.