CID 101499

Acetamide, n-(acetyloxy)-n-methyl-

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(=O)N(C)OC(=O)C
InChI
InChI=1S/C5H9NO3/c1-4(7)6(3)9-5(2)8/h1-3H3
InChIKey
ALQCCXRUNHSSRZ-UHFFFAOYSA-N
Compound name
[acetyl(methyl)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

131.05824 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 124.6
[M+Na]+ 154.04746 131.9
[M-H]- 130.05096 126.9
[M+NH4]+ 149.09206 147.1
[M+K]+ 170.02140 134.5
[M+H-H2O]+ 114.05550 119.8
[M+HCOO]- 176.05644 149.5
[M+CH3COO]- 190.07209 176.3
[M+Na-2H]- 152.03291 129.3
[M]+ 131.05769 127.4
[M]- 131.05879 127.4
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