CID 16787964

953885-34-2

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

3
Patents

198.06406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 141.6
[M+Na]+ 221.053278 146.9
[M-H]- 197.056784 144.4
[M+NH4]+ 216.097883 159.5
[M+K]+ 237.027218 147.1
[M+H-H2O]+ 181.061320 135.1
[M+HCOO]- 243.062261 166.0
[M+CH3COO]- 257.077911 182.7
[M+Na-2H]- 219.038726 146.7
[M]+ 198.06351142 141.7
[M]- 198.06460858 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

patents stripe