CID 3068901

1'-methyl-3-phenylspiro(isobenzofuran-1(3h),2'-pyrrolidine)

Structural Information

Molecular Formula
C18H19NO
SMILES
CN1CCCC12C3=CC=CC=C3C(O2)C4=CC=CC=C4
InChI
InChI=1S/C18H19NO/c1-19-13-7-12-18(19)16-11-6-5-10-15(16)17(20-18)14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKey
KSSVYIULEWAKRE-UHFFFAOYSA-N
Compound name
1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 162.2
[M+Na]+ 288.135888 170.5
[M-H]- 264.139394 171.4
[M+NH4]+ 283.180493 182.9
[M+K]+ 304.109828 166.4
[M+H-H2O]+ 248.143930 154.7
[M+HCOO]- 310.144871 181.8
[M+CH3COO]- 324.160521 174.7
[M+Na-2H]- 286.121336 165.1
[M]+ 265.14612142 160.5
[M]- 265.14721858 160.5
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.