CID 9504095

Methyl 1-cyclopropyl-5-hydroxy-2-methyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC1=C(C2=C(N1C3CC3)C=CC(=C2)O)C(=O)OC
InChI
InChI=1S/C14H15NO3/c1-8-13(14(17)18-2)11-7-10(16)5-6-12(11)15(8)9-3-4-9/h5-7,9,16H,3-4H2,1-2H3
InChIKey
FPLKUWNSSOMXKP-UHFFFAOYSA-N
Compound name
methyl 1-cyclopropyl-5-hydroxy-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 154.0
[M+Na]+ 268.09442 166.4
[M-H]- 244.09792 160.9
[M+NH4]+ 263.13902 168.2
[M+K]+ 284.06836 161.2
[M+H-H2O]+ 228.10246 147.8
[M+HCOO]- 290.10340 176.0
[M+CH3COO]- 304.11905 195.1
[M+Na-2H]- 266.07987 157.0
[M]+ 245.10465 160.7
[M]- 245.10575 160.7
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

No patent data available for this compound.