CID 138040160

2247103-87-1

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1(CNC2=C1C=C(C=C2)C(=O)OC)C
InChI
InChI=1S/C12H15NO2/c1-12(2)7-13-10-5-4-8(6-9(10)12)11(14)15-3/h4-6,13H,7H2,1-3H3
InChIKey
AUPJKOYDKPZFDK-UHFFFAOYSA-N
Compound name
methyl 3,3-dimethyl-1,2-dihydroindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.5
[M+Na]+ 228.09950 154.5
[M-H]- 204.10300 147.8
[M+NH4]+ 223.14410 167.8
[M+K]+ 244.07344 151.5
[M+H-H2O]+ 188.10754 140.3
[M+HCOO]- 250.10848 165.2
[M+CH3COO]- 264.12413 183.3
[M+Na-2H]- 226.08495 149.9
[M]+ 205.10973 145.8
[M]- 205.11083 145.8
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

No patent data available for this compound.