CID 54145

2-methyl-2-(2-(3-piperidinopropoxy)ethyl)-1,3-benzodioxole hydrobromide

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC1(OC2=CC=CC=C2O1)CCOCCCN3CCCCC3
InChI
InChI=1S/C18H27NO3/c1-18(21-16-8-3-4-9-17(16)22-18)10-15-20-14-7-13-19-11-5-2-6-12-19/h3-4,8-9H,2,5-7,10-15H2,1H3
InChIKey
VQUSZZPVQDUFAR-UHFFFAOYSA-N
Compound name
1-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 173.8
[M+Na]+ 328.188318 177.8
[M-H]- 304.191824 179.5
[M+NH4]+ 323.232923 188.9
[M+K]+ 344.162258 176.8
[M+H-H2O]+ 288.196360 165.6
[M+HCOO]- 350.197301 189.0
[M+CH3COO]- 364.212951 202.4
[M+Na-2H]- 326.173766 177.6
[M]+ 305.19855142 174.6
[M]- 305.19964858 174.6
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