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]+ 182.15395 137.9
[M+Na]+ 204.13589 141.1
[M-H]- 180.13939 141.8
[M+NH4]+ 199.18049 149.8
[M+K]+ 220.10983 142.4
[M+H-H2O]+ 164.14393 125.9
[M+HCOO]- 226.14487 155.0
[M+CH3COO]- 240.16052 184.9
[M+Na-2H]- 202.12134 141.3
[M]+ 181.14612 141.7
[M]- 181.14722 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.