CID 104121

N'-acetyl ethylnitrosourea

Structural Information

Molecular Formula
C5H9N3O3
SMILES
CCN(C(=O)NC(=O)C)N=O
InChI
InChI=1S/C5H9N3O3/c1-3-8(7-11)5(10)6-4(2)9/h3H2,1-2H3,(H,6,9,10)
InChIKey
POAPJNZDGNPIOM-UHFFFAOYSA-N
Compound name
N-[ethyl(nitroso)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.06439 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07167 131.4
[M+Na]+ 182.05361 137.5
[M-H]- 158.05711 134.8
[M+NH4]+ 177.09821 152.4
[M+K]+ 198.02755 140.3
[M+H-H2O]+ 142.06165 125.1
[M+HCOO]- 204.06259 159.8
[M+CH3COO]- 218.07824 188.0
[M+Na-2H]- 180.03906 136.9
[M]+ 159.06384 133.6
[M]- 159.06494 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.