CID 578941

72500-37-9

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1=CC(=CC=C1C(C(=O)O)NC(=O)N)O
InChI
InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)
InChIKey
GSHIDXLOTQDUAV-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

55
Patents

210.06406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.071336 143.7
[M+Na]+ 233.053278 148.9
[M-H]- 209.056784 144.3
[M+NH4]+ 228.097883 159.7
[M+K]+ 249.027218 147.5
[M+H-H2O]+ 193.061320 137.4
[M+HCOO]- 255.062261 164.9
[M+CH3COO]- 269.077911 185.8
[M+Na-2H]- 231.038726 145.9
[M]+ 210.06351142 140.0
[M]- 210.06460858 140.0
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