CID 119057580

Mdphp(hydrochloride)

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C17H23NO3/c1-2-3-6-14(18-9-4-5-10-18)17(19)13-7-8-15-16(11-13)21-12-20-15/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKey
OBLFRFGUZZRECT-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.1678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 170.8
[M+Na]+ 312.15702 174.7
[M-H]- 288.16052 177.1
[M+NH4]+ 307.20162 186.2
[M+K]+ 328.13096 174.3
[M+H-H2O]+ 272.16506 164.1
[M+HCOO]- 334.16600 186.7
[M+CH3COO]- 348.18165 200.7
[M+Na-2H]- 310.14247 170.0
[M]+ 289.16725 171.3
[M]- 289.16835 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe