CID 1370

1-bcp

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H15NO3/c15-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)17-9-16-11/h4-5,8H,1-3,6-7,9H2
InChIKey
BXBNADAPIHHXJQ-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl(piperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

133
Patents

233.1052 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.6
[M+Na]+ 256.09442 156.0
[M-H]- 232.09792 157.2
[M+NH4]+ 251.13902 166.6
[M+K]+ 272.06836 155.8
[M+H-H2O]+ 216.10246 143.4
[M+HCOO]- 278.10340 166.8
[M+CH3COO]- 292.11905 162.3
[M+Na-2H]- 254.07987 155.0
[M]+ 233.10465 148.1
[M]- 233.10575 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe