CID 84765312

1-cyclobutylpiperidine-4-carbaldehyde

Structural Information

Molecular Formula
C10H17NO
SMILES
C1CC(C1)N2CCC(CC2)C=O
InChI
InChI=1S/C10H17NO/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h8-10H,1-7H2
InChIKey
NNEINOCBKRWDSJ-UHFFFAOYSA-N
Compound name
1-cyclobutylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

167.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 133.3
[M+Na]+ 190.12023 136.9
[M-H]- 166.12373 137.4
[M+NH4]+ 185.16483 145.8
[M+K]+ 206.09417 138.5
[M+H-H2O]+ 150.12827 121.5
[M+HCOO]- 212.12921 150.8
[M+CH3COO]- 226.14486 182.0
[M+Na-2H]- 188.10568 137.3
[M]+ 167.13046 136.8
[M]- 167.13156 136.8
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

patents stripe