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]+ 275.175396 165.2
[M+Na]+ 297.157338 169.3
[M-H]- 273.160844 170.8
[M+NH4]+ 292.201943 181.7
[M+K]+ 313.131278 167.5
[M+H-H2O]+ 257.165380 156.7
[M+HCOO]- 319.166321 184.7
[M+CH3COO]- 333.181971 203.3
[M+Na-2H]- 295.142786 168.2
[M]+ 274.16757142 163.2
[M]- 274.16866858 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.