CID 137699059

Ethyl 4-(prop-2-yn-1-yl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCOC(=O)C1(CCNCC1)CC#C
InChI
InChI=1S/C11H17NO2/c1-3-5-11(10(13)14-4-2)6-8-12-9-7-11/h1,12H,4-9H2,2H3
InChIKey
GHXIBYUAHRXRCM-UHFFFAOYSA-N
Compound name
ethyl 4-prop-2-ynylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.3
[M+Na]+ 218.11515 151.5
[M-H]- 194.11865 143.2
[M+NH4]+ 213.15975 161.2
[M+K]+ 234.08909 147.4
[M+H-H2O]+ 178.12319 132.6
[M+HCOO]- 240.12413 155.8
[M+CH3COO]- 254.13978 188.0
[M+Na-2H]- 216.10060 147.4
[M]+ 195.12538 135.6
[M]- 195.12648 135.6
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

No patent data available for this compound.