CID 20463626

3,6-dimethyl-1h-indole

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=CC2=C(C=C1)C(=CN2)C
InChI
InChI=1S/C10H11N/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-6,11H,1-2H3
InChIKey
REQGRJQLONTTLF-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

145.08914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.096416 127.7
[M+Na]+ 168.078358 138.8
[M-H]- 144.081864 130.6
[M+NH4]+ 163.122963 150.9
[M+K]+ 184.052298 134.8
[M+H-H2O]+ 128.086400 122.4
[M+HCOO]- 190.087341 151.4
[M+CH3COO]- 204.102991 142.7
[M+Na-2H]- 166.063806 135.3
[M]+ 145.08859142 128.5
[M]- 145.08968858 128.5
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