CID 67834625

3h-spiro[2-benzofuran-1,3'-piperidine]

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC2(CNC1)C3=CC=CC=C3CO2
InChI
InChI=1S/C12H15NO/c1-2-5-11-10(4-1)8-14-12(11)6-3-7-13-9-12/h1-2,4-5,13H,3,6-9H2
InChIKey
KCAMDBNDUHBEBH-UHFFFAOYSA-N
Compound name
spiro[1H-2-benzofuran-3,3'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

189.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.1
[M+Na]+ 212.10459 147.3
[M-H]- 188.10809 144.9
[M+NH4]+ 207.14919 162.1
[M+K]+ 228.07853 144.4
[M+H-H2O]+ 172.11263 134.3
[M+HCOO]- 234.11357 157.6
[M+CH3COO]- 248.12922 153.1
[M+Na-2H]- 210.09004 148.2
[M]+ 189.11482 135.0
[M]- 189.11592 135.0
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