CID 48843

67011-36-3

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C1COC2=CC=CC=C2O1)N3CCCC3
InChI
InChI=1S/C14H19NO2/c1-11(15-8-4-5-9-15)14-10-16-12-6-2-3-7-13(12)17-14/h2-3,6-7,11,14H,4-5,8-10H2,1H3
InChIKey
KAXULGXUSBBIMN-UHFFFAOYSA-N
Compound name
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 153.3
[M+Na]+ 256.13081 158.0
[M-H]- 232.13431 159.6
[M+NH4]+ 251.17541 169.4
[M+K]+ 272.10475 157.6
[M+H-H2O]+ 216.13885 145.9
[M+HCOO]- 278.13979 168.8
[M+CH3COO]- 292.15544 164.7
[M+Na-2H]- 254.11626 157.0
[M]+ 233.14104 150.5
[M]- 233.14214 150.5
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.