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]+ 266.15395 162.2
[M+Na]+ 288.13589 170.5
[M-H]- 264.13939 171.4
[M+NH4]+ 283.18049 182.9
[M+K]+ 304.10983 166.4
[M+H-H2O]+ 248.14393 154.7
[M+HCOO]- 310.14487 181.8
[M+CH3COO]- 324.16052 174.7
[M+Na-2H]- 286.12134 165.1
[M]+ 265.14612 160.5
[M]- 265.14722 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.