CID 20754609

451495-08-2

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCOC(=O)C1CCN(CC1)CC#C
InChI
InChI=1S/C11H17NO2/c1-3-7-12-8-5-10(6-9-12)11(13)14-4-2/h1,10H,4-9H2,2H3
InChIKey
JUSOQWCRQRDWKL-UHFFFAOYSA-N
Compound name
ethyl 1-prop-2-ynylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

195.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 141.2
[M+Na]+ 218.11515 148.5
[M-H]- 194.11865 141.2
[M+NH4]+ 213.15975 157.1
[M+K]+ 234.08909 145.6
[M+H-H2O]+ 178.12319 128.7
[M+HCOO]- 240.12413 154.1
[M+CH3COO]- 254.13978 191.8
[M+Na-2H]- 216.10060 143.3
[M]+ 195.12538 134.2
[M]- 195.12648 134.2
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