CID 3020024

2-(2-hydroxyethyl)piperidine-1-carbaldehyde

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCN(C(C1)CCO)C=O
InChI
InChI=1S/C8H15NO2/c10-6-4-8-3-1-2-5-9(8)7-11/h7-8,10H,1-6H2
InChIKey
UDCBJPFHVLCUHM-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)piperidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.9
[M+Na]+ 180.099498 140.3
[M-H]- 156.103004 134.9
[M+NH4]+ 175.144103 153.7
[M+K]+ 196.073438 138.8
[M+H-H2O]+ 140.107540 128.7
[M+HCOO]- 202.108481 153.2
[M+CH3COO]- 216.124131 173.7
[M+Na-2H]- 178.084946 139.4
[M]+ 157.10973142 131.3
[M]- 157.11082858 131.3
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