CID 2331949

27855-25-0

Structural Information

Molecular Formula
C10H9NO5
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)O
InChI
InChI=1S/C10H9NO5/c12-9(13)4-11-10(14)6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)
InChIKey
FWHKWFNOFSQUIU-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxole-5-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

66
Patents

223.04807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.055346 144.9
[M+Na]+ 246.037288 151.6
[M-H]- 222.040794 149.4
[M+NH4]+ 241.081893 161.9
[M+K]+ 262.011228 152.3
[M+H-H2O]+ 206.045330 139.4
[M+HCOO]- 268.046271 165.3
[M+CH3COO]- 282.061921 185.9
[M+Na-2H]- 244.022736 151.0
[M]+ 223.04752142 146.7
[M]- 223.04861858 146.7
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