CID 126841368

2089255-23-0

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC(C)(C)OC(=O)N1C(CC2=C1C=CC=C2O)C(=O)O
InChI
InChI=1S/C14H17NO5/c1-14(2,3)20-13(19)15-9-5-4-6-11(16)8(9)7-10(15)12(17)18/h4-6,10,16H,7H2,1-3H3,(H,17,18)
InChIKey
OMRUDXLXCBARSI-UHFFFAOYSA-N
Compound name
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

279.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.8
[M+Na]+ 302.09992 170.2
[M-H]- 278.10342 163.8
[M+NH4]+ 297.14452 179.3
[M+K]+ 318.07386 168.3
[M+H-H2O]+ 262.10796 157.7
[M+HCOO]- 324.10890 178.3
[M+CH3COO]- 338.12455 194.3
[M+Na-2H]- 300.08537 164.2
[M]+ 279.11015 164.4
[M]- 279.11125 164.4
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