CID 49817365

7-ethyl-3-methyl-2-methoxy-2,3-dihydroindole

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC1=C2C(=CC=C1)C(C(N2)OC)C
InChI
InChI=1S/C12H17NO/c1-4-9-6-5-7-10-8(2)12(14-3)13-11(9)10/h5-8,12-13H,4H2,1-3H3
InChIKey
LNLZPMJJPKIQMN-UHFFFAOYSA-N
Compound name
7-ethyl-2-methoxy-3-methyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.3
[M+Na]+ 214.12023 152.2
[M-H]- 190.12373 145.5
[M+NH4]+ 209.16483 164.6
[M+K]+ 230.09417 148.7
[M+H-H2O]+ 174.12827 137.6
[M+HCOO]- 236.12921 163.6
[M+CH3COO]- 250.14486 183.5
[M+Na-2H]- 212.10568 147.0
[M]+ 191.13046 143.7
[M]- 191.13156 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.