CID 70130

1,3-dimethylindole

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=CN(C2=CC=CC=C12)C
InChI
InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
InChIKey
NAPPMSNSLWACIV-UHFFFAOYSA-N
Compound name
1,3-dimethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

234
References

2675
Patents

145.08914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 127.0
[M+Na]+ 168.07836 138.5
[M-H]- 144.08186 131.4
[M+NH4]+ 163.12296 150.9
[M+K]+ 184.05230 135.5
[M+H-H2O]+ 128.08640 121.4
[M+HCOO]- 190.08734 152.2
[M+CH3COO]- 204.10299 142.7
[M+Na-2H]- 166.06381 135.1
[M]+ 145.08859 129.7
[M]- 145.08969 129.7
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