CID 15427

2,3,3-trimethylindolenine

Structural Information

Molecular Formula
C11H13N
SMILES
CC1=NC2=CC=CC=C2C1(C)C
InChI
InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
InChIKey
FLHJIAFUWHPJRT-UHFFFAOYSA-N
Compound name
2,3,3-trimethylindole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

2244
Patents

159.1048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 132.3
[M+Na]+ 182.09402 143.3
[M-H]- 158.09752 136.5
[M+NH4]+ 177.13862 157.5
[M+K]+ 198.06796 140.3
[M+H-H2O]+ 142.10206 127.0
[M+HCOO]- 204.10300 155.8
[M+CH3COO]- 218.11865 147.4
[M+Na-2H]- 180.07947 139.9
[M]+ 159.10425 134.1
[M]- 159.10535 134.1
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