CID 291354

4-(piperidin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCN(CC1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKey
ILJVPSVCFVQUAD-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

986
Patents

189.11537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 141.8
[M+Na]+ 212.104588 147.3
[M-H]- 188.108094 146.2
[M+NH4]+ 207.149193 159.6
[M+K]+ 228.078528 144.4
[M+H-H2O]+ 172.112630 133.9
[M+HCOO]- 234.113571 161.6
[M+CH3COO]- 248.129221 182.0
[M+Na-2H]- 210.090036 147.2
[M]+ 189.11482142 137.4
[M]- 189.11591858 137.4
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