CID 22012187

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

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CNCC12C3=CC=CC=C3CO2
InChI
InChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKey
CFCYRDQMSMOQMZ-UHFFFAOYSA-N
Compound name
spiro[1H-2-benzofuran-3,3'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

175.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.3
[M+Na]+ 198.08894 144.9
[M-H]- 174.09244 141.7
[M+NH4]+ 193.13354 160.8
[M+K]+ 214.06288 142.3
[M+H-H2O]+ 158.09698 131.6
[M+HCOO]- 220.09792 156.3
[M+CH3COO]- 234.11357 150.4
[M+Na-2H]- 196.07439 143.2
[M]+ 175.09917 133.2
[M]- 175.10027 133.2
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