CID 78920665

Methyl 1-(prop-2-yn-1-yl)piperidine-3-carboxylate

Structural Information

Molecular Formula
C10H15NO2
SMILES
COC(=O)C1CCCN(C1)CC#C
InChI
InChI=1S/C10H15NO2/c1-3-6-11-7-4-5-9(8-11)10(12)13-2/h1,9H,4-8H2,2H3
InChIKey
PNCOYPCTFNKJQQ-UHFFFAOYSA-N
Compound name
methyl 1-prop-2-ynylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 141.6
[M+Na]+ 204.09950 151.6
[M+NH4]+ 199.14410 145.5
[M+K]+ 220.07344 143.3
[M-H]- 180.10300 134.1
[M+Na-2H]- 202.08495 142.6
[M]+ 181.10973 139.8
[M]- 181.11083 139.8
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.