CID 18545815

1321843-22-4

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKey
PPVKBEWRGPFIIJ-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

277.1314 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe