CID 22028205

N,n-dimethyl-4-oxobutanamide

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN(C)C(=O)CCC=O
InChI
InChI=1S/C6H11NO2/c1-7(2)6(9)4-3-5-8/h5H,3-4H2,1-2H3
InChIKey
OXQZTLTUQUOYQM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

129.07898 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.1
[M+Na]+ 152.06820 133.1
[M-H]- 128.07170 128.0
[M+NH4]+ 147.11280 148.6
[M+K]+ 168.04214 134.4
[M+H-H2O]+ 112.07624 121.1
[M+HCOO]- 174.07718 151.4
[M+CH3COO]- 188.09283 177.8
[M+Na-2H]- 150.05365 131.5
[M]+ 129.07843 128.6
[M]- 129.07953 128.6
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

patents stripe