CID 3967692

2-benzo[1,3]dioxol-5-yl-pyrrolidine

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(NC1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H13NO2/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9,12H,1-2,5,7H2
InChIKey
RFDZPAOUCULWED-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.1
[M+Na]+ 214.08386 145.8
[M-H]- 190.08736 144.9
[M+NH4]+ 209.12846 158.2
[M+K]+ 230.05780 145.0
[M+H-H2O]+ 174.09190 133.5
[M+HCOO]- 236.09284 157.3
[M+CH3COO]- 250.10849 152.0
[M+Na-2H]- 212.06931 143.6
[M]+ 191.09409 136.4
[M]- 191.09519 136.4
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