CID 745625

93744-22-0

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)CNC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H13NO4/c1-2-14-11(13)6-12-8-3-4-9-10(5-8)16-7-15-9/h3-5,12H,2,6-7H2,1H3
InChIKey
RBJSJGMEPLUKQP-UHFFFAOYSA-N
Compound name
ethyl 2-(1,3-benzodioxol-5-ylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

223.08446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.1
[M+Na]+ 246.073678 154.0
[M-H]- 222.077184 152.8
[M+NH4]+ 241.118283 165.2
[M+K]+ 262.047618 154.9
[M+H-H2O]+ 206.081720 141.3
[M+HCOO]- 268.082661 169.4
[M+CH3COO]- 282.098311 188.9
[M+Na-2H]- 244.059126 154.3
[M]+ 223.08391142 151.1
[M]- 223.08500858 151.1
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