CID 134635

Acetamido acetate

Structural Information

Molecular Formula
C4H7NO3
SMILES
CC(=O)NOC(=O)C
InChI
InChI=1S/C4H7NO3/c1-3(6)5-8-4(2)7/h1-2H3,(H,5,6)
InChIKey
YUIUTDCMJRHPBO-UHFFFAOYSA-N
Compound name
acetamido acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

117.042595 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 120.8
[M+Na]+ 140.03181 128.3
[M-H]- 116.03532 121.6
[M+NH4]+ 135.07642 143.1
[M+K]+ 156.00575 129.7
[M+H-H2O]+ 100.03986 116.2
[M+HCOO]- 162.04080 145.4
[M+CH3COO]- 176.05645 169.7
[M+Na-2H]- 138.01726 126.6
[M]+ 117.04205 121.9
[M]- 117.04314 121.9
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