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

88
Patents

131.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.9
[M+Na]+ 154.04746 132.4
[M-H]- 130.05096 125.0
[M+NH4]+ 149.09206 146.8
[M+K]+ 170.02140 132.5
[M+H-H2O]+ 114.05550 121.2
[M+HCOO]- 176.05644 148.7
[M+CH3COO]- 190.07209 171.5
[M+Na-2H]- 152.03291 130.6
[M]+ 131.05769 125.6
[M]- 131.05879 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