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]+ 254.117556 157.3
[M+Na]+ 276.099498 165.6
[M-H]- 252.103004 162.7
[M+NH4]+ 271.144103 175.2
[M+K]+ 292.073438 160.9
[M+H-H2O]+ 236.107540 150.1
[M+HCOO]- 298.108481 177.0
[M+CH3COO]- 312.124131 169.4
[M+Na-2H]- 274.084946 160.0
[M]+ 253.10973142 156.6
[M]- 253.11082858 156.6
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

patents stripe