CID 54595188

1-cyclopentyl-5-methoxy-2-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC1=C(C2=C(N1C3CCCC3)C=CC(=C2)OC)C(=O)O
InChI
InChI=1S/C16H19NO3/c1-10-15(16(18)19)13-9-12(20-2)7-8-14(13)17(10)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKey
DOKUYAQEKIMDNC-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-methoxy-2-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.7
[M+Na]+ 296.12572 171.4
[M-H]- 272.12922 168.7
[M+NH4]+ 291.17032 181.9
[M+K]+ 312.09966 167.7
[M+H-H2O]+ 256.13376 156.5
[M+HCOO]- 318.13470 183.3
[M+CH3COO]- 332.15035 197.1
[M+Na-2H]- 294.11117 162.1
[M]+ 273.13595 164.7
[M]- 273.13705 164.7
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