CID 2752616

106517-46-8

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1(C(NC2=CC=CC=C21)C(=O)O)C
InChI
InChI=1S/C11H13NO2/c1-11(2)7-5-3-4-6-8(7)12-9(11)10(13)14/h3-6,9,12H,1-2H3,(H,13,14)
InChIKey
YMUDQRAMMLNXAE-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.5
[M+Na]+ 214.08386 150.4
[M-H]- 190.08736 142.5
[M+NH4]+ 209.12846 163.5
[M+K]+ 230.05780 146.7
[M+H-H2O]+ 174.09190 136.7
[M+HCOO]- 236.09284 159.9
[M+CH3COO]- 250.10849 178.4
[M+Na-2H]- 212.06931 146.0
[M]+ 191.09409 139.7
[M]- 191.09519 139.7
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