CID 59658510

Ec 690-920-4

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

40
Patents

257.14157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 160.1
[M+Na]+ 280.130788 168.6
[M-H]- 256.134294 167.1
[M+NH4]+ 275.175393 180.6
[M+K]+ 296.104728 165.2
[M+H-H2O]+ 240.138830 153.4
[M+HCOO]- 302.139771 182.1
[M+CH3COO]- 316.155421 195.6
[M+Na-2H]- 278.116236 160.4
[M]+ 257.14102142 162.0
[M]- 257.14211858 162.0
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