CID 11424532

Methyl 4-methoxy-5-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1=C(C2=C(C=C1)NC(=C2)C(=O)OC)OC
InChI
InChI=1S/C12H13NO3/c1-7-4-5-9-8(11(7)15-2)6-10(13-9)12(14)16-3/h4-6,13H,1-3H3
InChIKey
GEUBGUIHUFHEBE-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-5-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.0
[M+Na]+ 242.07876 156.7
[M-H]- 218.08226 149.1
[M+NH4]+ 237.12336 166.0
[M+K]+ 258.05270 153.8
[M+H-H2O]+ 202.08680 140.1
[M+HCOO]- 264.08774 168.7
[M+CH3COO]- 278.10339 186.5
[M+Na-2H]- 240.06421 150.5
[M]+ 219.08899 150.7
[M]- 219.09009 150.7
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