CID 14495648

50675-20-2

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNCCC1C=O
InChI
InChI=1S/C6H11NO/c8-5-6-1-3-7-4-2-6/h5-7H,1-4H2
InChIKey
HRVXPXCISZSDCC-UHFFFAOYSA-N
Compound name
piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2375
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.3
[M+Na]+ 136.07328 128.6
[M-H]- 112.07678 123.3
[M+NH4]+ 131.11788 143.6
[M+K]+ 152.04722 127.2
[M+H-H2O]+ 96.081320 117.5
[M+HCOO]- 158.08226 142.0
[M+CH3COO]- 172.09791 164.4
[M+Na-2H]- 134.05873 129.6
[M]+ 113.08351 117.1
[M]- 113.08461 117.1
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