CID 11062856

Ethyl 1-methylpiperidine-4-carboxylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)C1CCN(CC1)C
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3
InChIKey
JWXOOQCMGJBSML-UHFFFAOYSA-N
Compound name
ethyl 1-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

632
Patents

171.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.3
[M+Na]+ 194.11515 149.4
[M+NH4]+ 189.15975 147.0
[M+K]+ 210.08909 144.0
[M-H]- 170.11865 139.9
[M+Na-2H]- 192.10060 143.2
[M]+ 171.12538 140.6
[M]- 171.12648 140.6
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