CID 3087348

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

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)N1CCC2(C1)OC3=CC=CC=C3O2
InChI
InChI=1S/C13H17NO2/c1-10(2)14-8-7-13(9-14)15-11-5-3-4-6-12(11)16-13/h3-6,10H,7-9H2,1-2H3
InChIKey
FKMZBRHGBAALQM-UHFFFAOYSA-N
Compound name
1'-propan-2-ylspiro[1,3-benzodioxole-2,3'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.2
[M+Na]+ 242.11515 156.9
[M-H]- 218.11865 155.7
[M+NH4]+ 237.15975 170.5
[M+K]+ 258.08909 156.7
[M+H-H2O]+ 202.12319 143.9
[M+HCOO]- 264.12413 167.2
[M+CH3COO]- 278.13978 162.3
[M+Na-2H]- 240.10060 153.4
[M]+ 219.12538 149.4
[M]- 219.12648 149.4
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

No patent data available for this compound.