CID 89584

1-benzylpiperidine-4-carbaldehyde

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CN(CCC1C=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKey
SGIBOXBBPQRZDM-UHFFFAOYSA-N
Compound name
1-benzylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

671
Patents

203.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.3
[M+Na]+ 226.12023 151.5
[M-H]- 202.12373 150.6
[M+NH4]+ 221.16483 163.6
[M+K]+ 242.09417 148.2
[M+H-H2O]+ 186.12827 138.3
[M+HCOO]- 248.12921 165.8
[M+CH3COO]- 262.14486 185.0
[M+Na-2H]- 224.10568 151.2
[M]+ 203.13046 142.3
[M]- 203.13156 142.3
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