CID 87958

N-(2-amino-2-oxoethyl)-3-oxobutyramide

Structural Information

Molecular Formula
C6H10N2O3
SMILES
CC(=O)CC(=O)NCC(=O)N
InChI
InChI=1S/C6H10N2O3/c1-4(9)2-6(11)8-3-5(7)10/h2-3H2,1H3,(H2,7,10)(H,8,11)
InChIKey
RNRMBJKSBHBTFK-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

158.06914 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 133.2
[M+Na]+ 181.058358 138.9
[M-H]- 157.061864 133.1
[M+NH4]+ 176.102963 152.9
[M+K]+ 197.032298 139.2
[M+H-H2O]+ 141.066400 127.7
[M+HCOO]- 203.067341 156.7
[M+CH3COO]- 217.082991 181.6
[M+Na-2H]- 179.043806 135.8
[M]+ 158.06859142 131.9
[M]- 158.06968858 131.9
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

patents stripe