CID 23383527

Methyl 3-methyl-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CNC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C11H11NO2/c1-7-6-12-10-4-3-8(5-9(7)10)11(13)14-2/h3-6,12H,1-2H3
InChIKey
DJVVYXJJXMUAPJ-UHFFFAOYSA-N
Compound name
methyl 3-methyl-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

189.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.6
[M+Na]+ 212.06820 149.1
[M-H]- 188.07170 141.5
[M+NH4]+ 207.11280 159.7
[M+K]+ 228.04214 145.8
[M+H-H2O]+ 172.07624 132.9
[M+HCOO]- 234.07718 161.5
[M+CH3COO]- 248.09283 180.1
[M+Na-2H]- 210.05365 144.4
[M]+ 189.07843 141.2
[M]- 189.07953 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe