CID 3068900

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

Structural Information

Molecular Formula
C12H14ClNO
SMILES
CN1CCCC12C3=C(CO2)C=C(C=C3)Cl
InChI
InChI=1S/C12H14ClNO/c1-14-6-2-5-12(14)11-4-3-10(13)7-9(11)8-15-12/h3-4,7H,2,5-6,8H2,1H3
InChIKey
YAYDKMCQQQJANI-UHFFFAOYSA-N
Compound name
6-chloro-1'-methylspiro[1H-2-benzofuran-3,2'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

223.07639 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 145.9
[M+Na]+ 246.06561 158.9
[M+NH4]+ 241.11021 157.7
[M+K]+ 262.03955 153.3
[M-H]- 222.06911 150.4
[M+Na-2H]- 244.05106 152.2
[M]+ 223.07584 149.5
[M]- 223.07694 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.