CID 41831

Brn 1650385

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1(OC2=CC=CC=C2O1)CCOCCN3CCCC3
InChI
InChI=1S/C16H23NO3/c1-16(19-14-6-2-3-7-15(14)20-16)8-12-18-13-11-17-9-4-5-10-17/h2-3,6-7H,4-5,8-13H2,1H3
InChIKey
IYJDJHGCGMNJTM-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 164.8
[M+Na]+ 300.15702 175.2
[M+NH4]+ 295.20162 174.4
[M+K]+ 316.13096 170.8
[M-H]- 276.16052 169.9
[M+Na-2H]- 298.14247 169.4
[M]+ 277.16725 167.8
[M]- 277.16835 167.8
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