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]+ 278.13868 164.2
[M+Na]+ 300.12062 171.9
[M-H]- 276.12412 166.4
[M+NH4]+ 295.16522 181.7
[M+K]+ 316.09456 169.9
[M+H-H2O]+ 260.12866 158.9
[M+HCOO]- 322.12960 180.7
[M+CH3COO]- 336.14525 197.4
[M+Na-2H]- 298.10607 165.3
[M]+ 277.13085 166.6
[M]- 277.13195 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.