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]+ 172.133206 138.6
[M+Na]+ 194.115148 144.0
[M-H]- 170.118654 139.8
[M+NH4]+ 189.159753 157.6
[M+K]+ 210.089088 143.2
[M+H-H2O]+ 154.123190 132.0
[M+HCOO]- 216.124131 158.1
[M+CH3COO]- 230.139781 179.4
[M+Na-2H]- 192.100596 143.1
[M]+ 171.12538142 137.3
[M]- 171.12647858 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