CID 45791124

1-ethylpiperidine-3-carbaldehyde hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CCN1CCCC(C1)C=O
InChI
InChI=1S/C8H15NO/c1-2-9-5-3-4-8(6-9)7-10/h7-8H,2-6H2,1H3
InChIKey
WBUCOQNOVATDCB-UHFFFAOYSA-N
Compound name
1-ethylpiperidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.0
[M+Na]+ 164.104588 136.9
[M-H]- 140.108094 132.5
[M+NH4]+ 159.149193 151.3
[M+K]+ 180.078528 135.9
[M+H-H2O]+ 124.112630 124.8
[M+HCOO]- 186.113571 150.6
[M+CH3COO]- 200.129221 174.3
[M+Na-2H]- 162.090036 136.1
[M]+ 141.11482142 127.9
[M]- 141.11591858 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