CID 23389265

1-ethyl-3-methylpiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCN1CCCC(C1)(C)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-3-10-6-4-5-9(2,7-10)8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKey
XRUYERPASDPHOS-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

171.12593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.7
[M+Na]+ 194.11515 144.5
[M-H]- 170.11865 139.1
[M+NH4]+ 189.15975 159.0
[M+K]+ 210.08909 143.5
[M+H-H2O]+ 154.12319 133.5
[M+HCOO]- 216.12413 155.8
[M+CH3COO]- 230.13978 177.1
[M+Na-2H]- 192.10060 142.8
[M]+ 171.12538 135.2
[M]- 171.12648 135.2
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