CID 67300506

Methyl 3-(methoxymethyl)-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C12H13NO3
SMILES
COCC1=CNC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H13NO3/c1-15-7-9-6-13-11-4-3-8(5-10(9)11)12(14)16-2/h3-6,13H,7H2,1-2H3
InChIKey
WAYXZKMZVNUFGR-UHFFFAOYSA-N
Compound name
methyl 3-(methoxymethyl)-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.4
[M+Na]+ 242.07876 156.2
[M-H]- 218.08226 149.1
[M+NH4]+ 237.12336 166.1
[M+K]+ 258.05270 153.3
[M+H-H2O]+ 202.08680 140.2
[M+HCOO]- 264.08774 169.1
[M+CH3COO]- 278.10339 185.2
[M+Na-2H]- 240.06421 151.6
[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