CID 59658510

494799-38-1

Structural Information

Molecular Formula
C16H19NO2
SMILES
CN1C=C(C2=C1C=C(C=C2)C(=O)OC)C3CCCC3
InChI
InChI=1S/C16H19NO2/c1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2/h7-11H,3-6H2,1-2H3
InChIKey
VGKAMBRJOFZVFY-UHFFFAOYSA-N
Compound name
methyl 3-cyclopentyl-1-methylindole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

257.14157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.4
[M+Na]+ 280.13079 171.6
[M+NH4]+ 275.17539 168.0
[M+K]+ 296.10473 168.4
[M-H]- 256.13429 162.5
[M+Na-2H]- 278.11624 164.9
[M]+ 257.14102 161.9
[M]- 257.14212 161.9
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