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]+ 220.096816 146.4
[M+Na]+ 242.078758 156.2
[M-H]- 218.082264 149.1
[M+NH4]+ 237.123363 166.1
[M+K]+ 258.052698 153.3
[M+H-H2O]+ 202.086800 140.2
[M+HCOO]- 264.087741 169.1
[M+CH3COO]- 278.103391 185.2
[M+Na-2H]- 240.064206 151.6
[M]+ 219.08899142 150.7
[M]- 219.09008858 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