CID 12583007

75235-35-7

Structural Information

Molecular Formula
C4H7NO3
SMILES
CCNC(=O)C(=O)O
InChI
InChI=1S/C4H7NO3/c1-2-5-3(6)4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey
DXRIITVFSTUKPW-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

237
Patents

117.042595 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 121.5
[M+Na]+ 140.031813 128.5
[M-H]- 116.035319 120.9
[M+NH4]+ 135.076418 143.0
[M+K]+ 156.005753 128.9
[M+H-H2O]+ 100.039855 117.0
[M+HCOO]- 162.040796 144.6
[M+CH3COO]- 176.056446 167.8
[M+Na-2H]- 138.017261 126.7
[M]+ 117.04204642 120.7
[M]- 117.04314358 120.7
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