CID 3053484

Brn 0484512

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCC(=O)NC(C1CCCN(C1)C)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O/c1-3-15(19)17-16(13-8-5-4-6-9-13)14-10-7-11-18(2)12-14/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,19)
InChIKey
WVVWRBCPKWEGDU-UHFFFAOYSA-N
Compound name
N-[(1-methylpiperidin-3-yl)-phenylmethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 164.2
[M+Na]+ 283.17809 166.7
[M-H]- 259.18159 168.1
[M+NH4]+ 278.22269 178.7
[M+K]+ 299.15203 163.7
[M+H-H2O]+ 243.18613 155.5
[M+HCOO]- 305.18707 181.7
[M+CH3COO]- 319.20272 199.9
[M+Na-2H]- 281.16354 165.5
[M]+ 260.18832 159.3
[M]- 260.18942 159.3
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.