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]+ 306.20638 173.8
[M+Na]+ 328.18832 177.8
[M-H]- 304.19182 179.5
[M+NH4]+ 323.23292 188.9
[M+K]+ 344.16226 176.8
[M+H-H2O]+ 288.19636 165.6
[M+HCOO]- 350.19730 189.0
[M+CH3COO]- 364.21295 202.4
[M+Na-2H]- 326.17377 177.6
[M]+ 305.19855 174.6
[M]- 305.19965 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