CID 3019417

83863-46-1

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=CC(=CC=C1)C2(CCNCC2)C(=O)N3CCCC3
InChI
InChI=1S/C17H24N2O/c1-14-5-4-6-15(13-14)17(7-9-18-10-8-17)16(20)19-11-2-3-12-19/h4-6,13,18H,2-3,7-12H2,1H3
InChIKey
IXSJBJNKASGMLL-UHFFFAOYSA-N
Compound name
[4-(3-methylphenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 168.1
[M+Na]+ 295.178088 171.0
[M-H]- 271.181594 172.3
[M+NH4]+ 290.222693 183.6
[M+K]+ 311.152028 166.5
[M+H-H2O]+ 255.186130 158.7
[M+HCOO]- 317.187071 181.7
[M+CH3COO]- 331.202721 176.8
[M+Na-2H]- 293.163536 167.6
[M]+ 272.18832142 159.0
[M]- 272.18941858 159.0
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.