CID 2935759

618080-32-3

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3O2)C
InChI
InChI=1S/C16H19NO2/c1-11-6-5-9-17(10-11)16(18)15-12(2)13-7-3-4-8-14(13)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKey
IUYWMKLVSKRXFD-UHFFFAOYSA-N
Compound name
(3-methyl-1-benzofuran-2-yl)-(3-methylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 159.1
[M+Na]+ 280.13079 167.1
[M-H]- 256.13429 166.1
[M+NH4]+ 275.17539 176.4
[M+K]+ 296.10473 164.3
[M+H-H2O]+ 240.13883 151.7
[M+HCOO]- 302.13977 177.9
[M+CH3COO]- 316.15542 171.4
[M+Na-2H]- 278.11624 161.7
[M]+ 257.14102 159.3
[M]- 257.14212 159.3
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.