CID 17893954

1-(2-methoxyethyl)piperidine-4-carbaldehyde

Structural Information

Molecular Formula
C9H17NO2
SMILES
COCCN1CCC(CC1)C=O
InChI
InChI=1S/C9H17NO2/c1-12-7-6-10-4-2-9(8-11)3-5-10/h8-9H,2-7H2,1H3
InChIKey
MXOCNXUPXVNEIJ-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

171.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.6
[M+Na]+ 194.11515 144.0
[M-H]- 170.11865 139.8
[M+NH4]+ 189.15975 157.6
[M+K]+ 210.08909 143.2
[M+H-H2O]+ 154.12319 132.0
[M+HCOO]- 216.12413 158.1
[M+CH3COO]- 230.13978 179.4
[M+Na-2H]- 192.10060 143.1
[M]+ 171.12538 137.3
[M]- 171.12648 137.3
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