CID 10942760

18781-58-3

Structural Information

Molecular Formula
C11H15N
SMILES
CC1C(C2=CC=CC=C2N1)(C)C
InChI
InChI=1S/C11H15N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-8,12H,1-3H3
InChIKey
IVWSGOOPQGMALJ-UHFFFAOYSA-N
Compound name
2,3,3-trimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

402
Patents

161.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 135.0
[M+Na]+ 184.109668 144.5
[M-H]- 160.113174 137.4
[M+NH4]+ 179.154273 159.3
[M+K]+ 200.083608 140.8
[M+H-H2O]+ 144.117710 129.9
[M+HCOO]- 206.118651 155.5
[M+CH3COO]- 220.134301 148.8
[M+Na-2H]- 182.095116 141.0
[M]+ 161.11990142 133.5
[M]- 161.12099858 133.5
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