CID 13151023

773098-59-2

Structural Information

Molecular Formula
C5H9NO3
SMILES
CCNC(=O)CC(=O)O
InChI
InChI=1S/C5H9NO3/c1-2-6-4(7)3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
USHWNTZTUAQDFH-UHFFFAOYSA-N
Compound name
3-(ethylamino)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

131.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.9
[M+Na]+ 154.047458 132.4
[M-H]- 130.050964 125.0
[M+NH4]+ 149.092063 146.8
[M+K]+ 170.021398 132.5
[M+H-H2O]+ 114.055500 121.2
[M+HCOO]- 176.056441 148.7
[M+CH3COO]- 190.072091 171.5
[M+Na-2H]- 152.032906 130.6
[M]+ 131.05769142 125.6
[M]- 131.05878858 125.6
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