CID 2752616

(2s)-3,3-dimethyl-1,2-dihydroindole-2-carboxylate

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
2
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]+ 192.101916 141.5
[M+Na]+ 214.083858 150.4
[M-H]- 190.087364 142.5
[M+NH4]+ 209.128463 163.5
[M+K]+ 230.057798 146.7
[M+H-H2O]+ 174.091900 136.7
[M+HCOO]- 236.092841 159.9
[M+CH3COO]- 250.108491 178.4
[M+Na-2H]- 212.069306 146.0
[M]+ 191.09409142 139.7
[M]- 191.09518858 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