CID 38086

Glycine, (3-indolylcarbonyl)methyl ester, hydrobromide

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)CN
InChI
InChI=1S/C12H12N2O3/c13-5-12(16)17-7-11(15)9-6-14-10-4-2-1-3-8(9)10/h1-4,6,14H,5,7,13H2
InChIKey
DSJGHDMSKCFPRS-UHFFFAOYSA-N
Compound name
[2-(1H-indol-3-yl)-2-oxoethyl] 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 149.8
[M+Na]+ 255.07402 157.6
[M-H]- 231.07752 151.6
[M+NH4]+ 250.11862 167.8
[M+K]+ 271.04796 154.3
[M+H-H2O]+ 215.08206 143.0
[M+HCOO]- 277.08300 172.1
[M+CH3COO]- 291.09865 188.6
[M+Na-2H]- 253.05947 154.0
[M]+ 232.08425 150.6
[M]- 232.08535 150.6
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

No patent data available for this compound.