CID 566742

Ethyl 1-methylpiperidine-2-carboxylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)C1CCCCN1C
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3
InChIKey
ZICBNHLULHJETL-UHFFFAOYSA-N
Compound name
ethyl 1-methylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

171.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.0
[M+Na]+ 194.11515 144.3
[M-H]- 170.11865 140.4
[M+NH4]+ 189.15975 158.0
[M+K]+ 210.08909 143.9
[M+H-H2O]+ 154.12319 132.5
[M+HCOO]- 216.12413 157.5
[M+CH3COO]- 230.13978 179.5
[M+Na-2H]- 192.10060 142.3
[M]+ 171.12538 136.9
[M]- 171.12648 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe