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

48
Patents

195.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 141.2
[M+Na]+ 218.115148 148.5
[M-H]- 194.118654 141.2
[M+NH4]+ 213.159753 157.1
[M+K]+ 234.089088 145.6
[M+H-H2O]+ 178.123190 128.7
[M+HCOO]- 240.124131 154.1
[M+CH3COO]- 254.139781 191.8
[M+Na-2H]- 216.100596 143.3
[M]+ 195.12538142 134.2
[M]- 195.12647858 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