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 142.9
[M+Na]+ 226.08386 154.2
[M-H]- 202.08736 153.0
[M+NH4]+ 221.12846 161.7
[M+K]+ 242.05780 153.0
[M+H-H2O]+ 186.09190 137.8
[M+HCOO]- 248.09284 166.2
[M+CH3COO]- 262.10849 193.2
[M+Na-2H]- 224.06931 150.2
[M]+ 203.09409 148.3
[M]- 203.09519 148.3
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