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

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 160.1
[M+Na]+ 280.13079 168.6
[M-H]- 256.13429 167.1
[M+NH4]+ 275.17539 180.6
[M+K]+ 296.10473 165.2
[M+H-H2O]+ 240.13883 153.4
[M+HCOO]- 302.13977 182.1
[M+CH3COO]- 316.15542 195.6
[M+Na-2H]- 278.11624 160.4
[M]+ 257.14102 162.0
[M]- 257.14212 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