CID 65461855

1-(cyclobutylmethyl)piperidine-4-carbaldehyde

Structural Information

Molecular Formula
C11H19NO
SMILES
C1CC(C1)CN2CCC(CC2)C=O
InChI
InChI=1S/C11H19NO/c13-9-11-4-6-12(7-5-11)8-10-2-1-3-10/h9-11H,1-8H2
InChIKey
CHQTUUSLTYCPCD-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 137.9
[M+Na]+ 204.135888 141.1
[M-H]- 180.139394 141.8
[M+NH4]+ 199.180493 149.8
[M+K]+ 220.109828 142.4
[M+H-H2O]+ 164.143930 125.9
[M+HCOO]- 226.144871 155.0
[M+CH3COO]- 240.160521 184.9
[M+Na-2H]- 202.121336 141.3
[M]+ 181.14612142 141.7
[M]- 181.14721858 141.7
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.