CID 3087350

Spiro(1,3-benzodioxole-2,3'-pyrrolidine), 1'-butyl-, hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCCCN1CCC2(C1)OC3=CC=CC=C3O2
InChI
InChI=1S/C14H19NO2/c1-2-3-9-15-10-8-14(11-15)16-12-6-4-5-7-13(12)17-14/h4-7H,2-3,8-11H2,1H3
InChIKey
DTGZTWTWSKXFLY-UHFFFAOYSA-N
Compound name
1'-butylspiro[1,3-benzodioxole-2,3'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.9
[M+Na]+ 256.13081 164.2
[M+NH4]+ 251.17541 163.4
[M+K]+ 272.10475 159.6
[M-H]- 232.13431 158.0
[M+Na-2H]- 254.11626 157.7
[M]+ 233.14104 156.1
[M]- 233.14214 156.1
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

No patent data available for this compound.