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]+ 190.122646 141.3
[M+Na]+ 212.104588 149.8
[M-H]- 188.108094 147.3
[M+NH4]+ 207.149193 165.3
[M+K]+ 228.078528 147.8
[M+H-H2O]+ 172.112630 135.5
[M+HCOO]- 234.113571 161.5
[M+CH3COO]- 248.129221 155.0
[M+Na-2H]- 210.090036 146.4
[M]+ 189.11482142 139.7
[M]- 189.11591858 139.7
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.