CID 60675436

2-(2-{[(prop-2-en-1-yloxy)carbonyl]amino}acetamido)acetic acid

Structural Information

Molecular Formula
C8H12N2O5
SMILES
C=CCOC(=O)NCC(=O)NCC(=O)O
InChI
InChI=1S/C8H12N2O5/c1-2-3-15-8(14)10-4-6(11)9-5-7(12)13/h2H,1,3-5H2,(H,9,11)(H,10,14)(H,12,13)
InChIKey
GHHFEUXEGKFJAW-UHFFFAOYSA-N
Compound name
2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07462 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08190 145.9
[M+Na]+ 239.06384 150.5
[M-H]- 215.06734 144.5
[M+NH4]+ 234.10844 162.6
[M+K]+ 255.03778 150.3
[M+H-H2O]+ 199.07188 139.7
[M+HCOO]- 261.07282 168.5
[M+CH3COO]- 275.08847 188.0
[M+Na-2H]- 237.04929 148.2
[M]+ 216.07407 146.5
[M]- 216.07517 146.5
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

No patent data available for this compound.