CID 164015

116861-51-9

Structural Information

Molecular Formula
C12H17NO
SMILES
CCOC1=CC2=C(C=C1)C(CN2)(C)C
InChI
InChI=1S/C12H17NO/c1-4-14-9-5-6-10-11(7-9)13-8-12(10,2)3/h5-7,13H,4,8H2,1-3H3
InChIKey
ITLRQEKXUKZTPG-UHFFFAOYSA-N
Compound name
6-ethoxy-3,3-dimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

191.13101 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.2
[M+Na]+ 214.12023 155.3
[M+NH4]+ 209.16483 153.6
[M+K]+ 230.09417 148.2
[M-H]- 190.12373 144.8
[M+Na-2H]- 212.10568 149.4
[M]+ 191.13046 145.5
[M]- 191.13156 145.5
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