CID 4368147

2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC(NC1)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2
InChIKey
LSNPFVDQLTUQCE-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

205.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.5
[M+Na]+ 228.09950 149.0
[M-H]- 204.10300 148.7
[M+NH4]+ 223.14410 160.1
[M+K]+ 244.07344 147.7
[M+H-H2O]+ 188.10754 136.6
[M+HCOO]- 250.10848 159.2
[M+CH3COO]- 264.12413 155.2
[M+Na-2H]- 226.08495 149.1
[M]+ 205.10973 138.9
[M]- 205.11083 138.9
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