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

0
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 149.6
[M+Na]+ 246.06561 159.8
[M-H]- 222.06911 155.7
[M+NH4]+ 241.11021 173.3
[M+K]+ 262.03955 155.8
[M+H-H2O]+ 206.07365 144.3
[M+HCOO]- 268.07459 165.0
[M+CH3COO]- 282.09024 163.1
[M+Na-2H]- 244.05106 153.3
[M]+ 223.07584 150.2
[M]- 223.07694 150.2
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.