CID 16787964

2-{[(furan-2-ylmethyl)carbamoyl]amino}acetic acid

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C1=COC(=C1)CNC(=O)NCC(=O)O
InChI
InChI=1S/C8H10N2O4/c11-7(12)5-10-8(13)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H,11,12)(H2,9,10,13)
InChIKey
BKXYTQHDSGUOCM-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylcarbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 141.6
[M+Na]+ 221.05328 146.9
[M-H]- 197.05678 144.4
[M+NH4]+ 216.09788 159.5
[M+K]+ 237.02722 147.1
[M+H-H2O]+ 181.06132 135.1
[M+HCOO]- 243.06226 166.0
[M+CH3COO]- 257.07791 182.7
[M+Na-2H]- 219.03873 146.7
[M]+ 198.06351 141.7
[M]- 198.06461 141.7
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.