CID 126836148

2059932-05-5

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC(C)(C)OC(=O)N1C(CC2=C1C=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H17NO5/c1-14(2,3)20-13(19)15-10-7-9(16)5-4-8(10)6-11(15)12(17)18/h4-5,7,11,16H,6H2,1-3H3,(H,17,18)
InChIKey
QLINLMKCOUUAED-UHFFFAOYSA-N
Compound name
6-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

0
Patents

279.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 162.8
[M+Na]+ 302.099918 170.2
[M-H]- 278.103424 163.8
[M+NH4]+ 297.144523 179.3
[M+K]+ 318.073858 168.3
[M+H-H2O]+ 262.107960 157.7
[M+HCOO]- 324.108901 178.3
[M+CH3COO]- 338.124551 194.3
[M+Na-2H]- 300.085366 164.2
[M]+ 279.11015142 164.4
[M]- 279.11124858 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

No patent data available for this compound.