CID 3024722

Brn 1542443

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CN(C)CC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2O2/c1-17(2)12-15(20)18-10-8-16(13-19,9-11-18)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKey
CQBXGINKSXJDAO-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)acetyl]-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 165.2
[M+Na]+ 297.15734 169.3
[M-H]- 273.16084 170.8
[M+NH4]+ 292.20194 181.7
[M+K]+ 313.13128 167.5
[M+H-H2O]+ 257.16538 156.7
[M+HCOO]- 319.16632 184.7
[M+CH3COO]- 333.18197 203.3
[M+Na-2H]- 295.14279 168.2
[M]+ 274.16757 163.2
[M]- 274.16867 163.2
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.