CID 164738

5-methoxy-2,3-dimethyl-1h-indole

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=C(NC2=C1C=C(C=C2)OC)C
InChI
InChI=1S/C11H13NO/c1-7-8(2)12-11-5-4-9(13-3)6-10(7)11/h4-6,12H,1-3H3
InChIKey
GZSTUEGIANKNTE-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

175.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 135.6
[M+Na]+ 198.08894 147.1
[M-H]- 174.09244 138.7
[M+NH4]+ 193.13354 157.8
[M+K]+ 214.06288 143.3
[M+H-H2O]+ 158.09698 130.1
[M+HCOO]- 220.09792 159.1
[M+CH3COO]- 234.11357 179.9
[M+Na-2H]- 196.07439 141.9
[M]+ 175.09917 138.5
[M]- 175.10027 138.5
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