CID 12539295

2-(2-methyl-2,3-dihydro-1h-indol-1-yl)benzoic acid

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1CC2=CC=CC=C2N1C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C16H15NO2/c1-11-10-12-6-2-4-8-14(12)17(11)15-9-5-3-7-13(15)16(18)19/h2-9,11H,10H2,1H3,(H,18,19)
InChIKey
FBFLQTBPQBJPDX-UHFFFAOYSA-N
Compound name
2-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.11028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.8
[M+Na]+ 276.09950 171.5
[M+NH4]+ 271.14410 166.4
[M+K]+ 292.07344 166.2
[M-H]- 252.10300 161.3
[M+Na-2H]- 274.08495 164.6
[M]+ 253.10973 160.7
[M]- 253.11083 160.7
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

patents stripe