CID 3068887

1'-methylspiro(isobenzofuran-1(3h),2'-pyrrolidine)

Structural Information

Molecular Formula
C12H15NO
SMILES
CN1CCCC12C3=CC=CC=C3CO2
InChI
InChI=1S/C12H15NO/c1-13-8-4-7-12(13)11-6-3-2-5-10(11)9-14-12/h2-3,5-6H,4,7-9H2,1H3
InChIKey
NMSLLBUQAZMJMC-UHFFFAOYSA-N
Compound name
1'-methylspiro[1H-2-benzofuran-3,2'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.3
[M+Na]+ 212.10459 153.1
[M+NH4]+ 207.14919 152.9
[M+K]+ 228.07853 148.1
[M-H]- 188.10809 145.7
[M+Na-2H]- 210.09004 147.6
[M]+ 189.11482 144.4
[M]- 189.11592 144.4
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.