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]+ 196.133206 144.3
[M+Na]+ 218.115148 151.5
[M-H]- 194.118654 143.2
[M+NH4]+ 213.159753 161.2
[M+K]+ 234.089088 147.4
[M+H-H2O]+ 178.123190 132.6
[M+HCOO]- 240.124131 155.8
[M+CH3COO]- 254.139781 188.0
[M+Na-2H]- 216.100596 147.4
[M]+ 195.12538142 135.6
[M]- 195.12647858 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.