CID 117175321

1891114-35-4

Structural Information

Molecular Formula
C11H11NO3
SMILES
COCC1=CNC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-15-6-8-5-12-10-3-2-7(11(13)14)4-9(8)10/h2-5,12H,6H2,1H3,(H,13,14)
InChIKey
OTEWLZAFBHUUKA-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.9
[M+Na]+ 228.06312 151.6
[M-H]- 204.06662 143.3
[M+NH4]+ 223.10772 161.4
[M+K]+ 244.03706 148.0
[M+H-H2O]+ 188.07116 136.1
[M+HCOO]- 250.07210 163.4
[M+CH3COO]- 264.08775 180.4
[M+Na-2H]- 226.04857 147.2
[M]+ 205.07335 144.1
[M]- 205.07445 144.1
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

No patent data available for this compound.