CID 121552584

2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1h-indol-6-yl}acetic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)CC(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-11-5-4-10(8-12(11)16)9-13(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKey
MRSMSHNOPZPJFG-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.5
[M+Na]+ 300.12062 172.4
[M+NH4]+ 295.16522 169.2
[M+K]+ 316.09456 170.8
[M-H]- 276.12412 161.9
[M+Na-2H]- 298.10607 165.2
[M]+ 277.13085 164.0
[M]- 277.13195 164.0
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.