CID 96472

4596-51-4

Structural Information

Molecular Formula
C5H9NO4
SMILES
CCOC(=O)NCC(=O)O
InChI
InChI=1S/C5H9NO4/c1-2-10-5(9)6-3-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8)
InChIKey
RTVSUZHDJGUDGX-UHFFFAOYSA-N
Compound name
2-(ethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

147.05316 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 128.6
[M+Na]+ 170.04238 135.0
[M-H]- 146.04588 127.7
[M+NH4]+ 165.08698 148.8
[M+K]+ 186.01632 135.7
[M+H-H2O]+ 130.05042 123.6
[M+HCOO]- 192.05136 151.6
[M+CH3COO]- 206.06701 172.9
[M+Na-2H]- 168.02783 133.3
[M]+ 147.05261 129.6
[M]- 147.05371 129.6
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