CID 117046312

1893564-51-6

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC1C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-9-12(13(17)18)10-7-5-6-8-11(10)16(9)14(19)20-15(2,3)4/h5-9,12H,1-4H3,(H,17,18)
InChIKey
WGILMBITEGFAGY-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 164.2
[M+Na]+ 300.120618 171.9
[M-H]- 276.124124 166.4
[M+NH4]+ 295.165223 181.7
[M+K]+ 316.094558 169.9
[M+H-H2O]+ 260.128660 158.9
[M+HCOO]- 322.129601 180.7
[M+CH3COO]- 336.145251 197.4
[M+Na-2H]- 298.106066 165.3
[M]+ 277.13085142 166.6
[M]- 277.13194858 166.6
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.