CID 3020471

N-(2-aminoethyl)-3-oxobutyramide

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CC(=O)CC(=O)NCCN
InChI
InChI=1S/C6H12N2O2/c1-5(9)4-6(10)8-3-2-7/h2-4,7H2,1H3,(H,8,10)
InChIKey
WDDZPNJQWYESGP-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

144.08987 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.7
[M+Na]+ 167.079088 137.3
[M-H]- 143.082594 131.5
[M+NH4]+ 162.123693 152.1
[M+K]+ 183.053028 137.2
[M+H-H2O]+ 127.087130 126.2
[M+HCOO]- 189.088071 155.7
[M+CH3COO]- 203.103721 179.4
[M+Na-2H]- 165.064536 135.4
[M]+ 144.08932142 130.3
[M]- 144.09041858 130.3
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