CID 43509539

Methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC(=O)C1CCN(CC1)CCO
InChI
InChI=1S/C9H17NO3/c1-13-9(12)8-2-4-10(5-3-8)6-7-11/h8,11H,2-7H2,1H3
InChIKey
LBMXGNXYBMWVRQ-UHFFFAOYSA-N
Compound name
methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

187.12085 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 142.6
[M+Na]+ 210.110068 147.4
[M-H]- 186.113574 142.6
[M+NH4]+ 205.154673 160.2
[M+K]+ 226.084008 146.6
[M+H-H2O]+ 170.118110 136.2
[M+HCOO]- 232.119051 159.9
[M+CH3COO]- 246.134701 179.0
[M+Na-2H]- 208.095516 145.4
[M]+ 187.12030142 140.2
[M]- 187.12139858 140.2
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