CID 199015

1-(1,4-benzodioxan-2-ylmethyl)pyrrolidine

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCN(C1)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C13H17NO2/c1-2-6-13-12(5-1)15-10-11(16-13)9-14-7-3-4-8-14/h1-2,5-6,11H,3-4,7-10H2
InChIKey
DZRUWBABCQULJK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 147.9
[M+Na]+ 242.11515 153.3
[M-H]- 218.11865 154.2
[M+NH4]+ 237.15975 164.6
[M+K]+ 258.08909 152.7
[M+H-H2O]+ 202.12319 140.5
[M+HCOO]- 264.12413 164.7
[M+CH3COO]- 278.13978 159.8
[M+Na-2H]- 240.10060 153.3
[M]+ 219.12538 145.3
[M]- 219.12648 145.3
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