CID 3055475

Spiro(benzofuran-2(3h),1'-cyclopropan)-3-one, 5-(dimethylamino)-

Structural Information

Molecular Formula
C12H13NO2
SMILES
CN(C)C1=CC2=C(C=C1)OC3(C2=O)CC3
InChI
InChI=1S/C12H13NO2/c1-13(2)8-3-4-10-9(7-8)11(14)12(15-10)5-6-12/h3-4,7H,5-6H2,1-2H3
InChIKey
RIHDBQABNXRTIZ-UHFFFAOYSA-N
Compound name
5-(dimethylamino)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 145.4
[M+Na]+ 226.08386 159.0
[M+NH4]+ 221.12846 156.9
[M+K]+ 242.05780 154.3
[M-H]- 202.08736 157.4
[M+Na-2H]- 224.06931 154.6
[M]+ 203.09409 152.1
[M]- 203.09519 152.1
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

patents stripe