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

18
Patents

191.13101 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.0
[M+Na]+ 214.120228 152.0
[M-H]- 190.123734 145.2
[M+NH4]+ 209.164833 166.0
[M+K]+ 230.094168 148.5
[M+H-H2O]+ 174.128270 137.6
[M+HCOO]- 236.129211 163.3
[M+CH3COO]- 250.144861 181.9
[M+Na-2H]- 212.105676 148.5
[M]+ 191.13046142 143.3
[M]- 191.13155858 143.3
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

patents stripe