CID 20613249

1039415-48-9

Structural Information

Molecular Formula
C8H15NO
SMILES
CCN1CCC(CC1)C=O
InChI
InChI=1S/C8H15NO/c1-2-9-5-3-8(7-10)4-6-9/h7-8H,2-6H2,1H3
InChIKey
CJWYRHTUDJMLSU-UHFFFAOYSA-N
Compound name
1-ethylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.0
[M+Na]+ 164.10459 136.9
[M-H]- 140.10809 132.5
[M+NH4]+ 159.14919 151.3
[M+K]+ 180.07853 135.9
[M+H-H2O]+ 124.11263 124.8
[M+HCOO]- 186.11357 150.6
[M+CH3COO]- 200.12922 174.3
[M+Na-2H]- 162.09004 136.1
[M]+ 141.11482 127.9
[M]- 141.11592 127.9
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