CID 17429

N-formylpiperidine

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CCN(CC1)C=O
InChI
InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKey
FEWLNYSYJNLUOO-UHFFFAOYSA-N
Compound name
piperidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

15
References

21009
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.3
[M+Na]+ 136.073278 128.1
[M-H]- 112.076784 123.8
[M+NH4]+ 131.117883 143.4
[M+K]+ 152.047218 127.7
[M+H-H2O]+ 96.081320 116.3
[M+HCOO]- 158.082261 142.6
[M+CH3COO]- 172.097911 167.1
[M+Na-2H]- 134.058726 129.2
[M]+ 113.08351142 118.1
[M]- 113.08460858 118.1
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