CID 12534824

16886-00-3

Structural Information

Molecular Formula
C11H13N
SMILES
CC(C)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3
InChIKey
ZFDQHODXVZRPFG-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

749
Patents

159.1048 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 133.3
[M+Na]+ 182.09402 142.7
[M-H]- 158.09752 135.8
[M+NH4]+ 177.13862 155.5
[M+K]+ 198.06796 138.9
[M+H-H2O]+ 142.10206 127.6
[M+HCOO]- 204.10300 155.6
[M+CH3COO]- 218.11865 147.3
[M+Na-2H]- 180.07947 139.8
[M]+ 159.10425 133.4
[M]- 159.10535 133.4
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