CID 4456126

Methyl 6-methoxy-1-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H13NO3
SMILES
CN1C(=CC2=C1C=C(C=C2)OC)C(=O)OC
InChI
InChI=1S/C12H13NO3/c1-13-10-7-9(15-2)5-4-8(10)6-11(13)12(14)16-3/h4-7H,1-3H3
InChIKey
SRWZUDVDLGGWIH-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-1-methylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

219.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 145.3
[M+Na]+ 242.07876 156.5
[M-H]- 218.08226 149.8
[M+NH4]+ 237.12336 166.1
[M+K]+ 258.05270 154.5
[M+H-H2O]+ 202.08680 139.2
[M+HCOO]- 264.08774 169.6
[M+CH3COO]- 278.10339 189.0
[M+Na-2H]- 240.06421 150.4
[M]+ 219.08899 151.9
[M]- 219.09009 151.9
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