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]+ 192.138286 143.3
[M+Na]+ 214.120228 152.2
[M-H]- 190.123734 145.5
[M+NH4]+ 209.164833 164.6
[M+K]+ 230.094168 148.7
[M+H-H2O]+ 174.128270 137.6
[M+HCOO]- 236.129211 163.6
[M+CH3COO]- 250.144861 183.5
[M+Na-2H]- 212.105676 147.0
[M]+ 191.13046142 143.7
[M]- 191.13155858 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.