CID 7053

2,3-dimethylindole

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=C(NC2=CC=CC=C12)C
InChI
InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
InChIKey
PYFVEIDRTLBMHG-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1591
Patents

145.08914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 127.7
[M+Na]+ 168.07836 138.8
[M-H]- 144.08186 130.6
[M+NH4]+ 163.12296 150.9
[M+K]+ 184.05230 134.8
[M+H-H2O]+ 128.08640 122.4
[M+HCOO]- 190.08734 151.4
[M+CH3COO]- 204.10299 142.7
[M+Na-2H]- 166.06381 135.3
[M]+ 145.08859 128.5
[M]- 145.08969 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