CID 19361805

Ethyl 4-methylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCOC(=O)C1(CCNCC1)C
InChI
InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3
InChIKey
YWXSWDQLJWHKMW-UHFFFAOYSA-N
Compound name
ethyl 4-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

171.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.0
[M+Na]+ 194.11515 144.8
[M-H]- 170.11865 140.0
[M+NH4]+ 189.15975 160.0
[M+K]+ 210.08909 143.8
[M+H-H2O]+ 154.12319 134.4
[M+HCOO]- 216.12413 157.0
[M+CH3COO]- 230.13978 175.3
[M+Na-2H]- 192.10060 144.6
[M]+ 171.12538 136.0
[M]- 171.12648 136.0
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