CID 138030245

2243506-27-4

Structural Information

Molecular Formula
C10H15NO2
SMILES
COC(=O)C1(CCCCN1)CC#C
InChI
InChI=1S/C10H15NO2/c1-3-6-10(9(12)13-2)7-4-5-8-11-10/h1,11H,4-8H2,2H3
InChIKey
DANRTVVPKXIKJW-UHFFFAOYSA-N
Compound name
methyl 2-prop-2-ynylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.5
[M+Na]+ 204.09950 148.1
[M-H]- 180.10300 139.5
[M+NH4]+ 199.14410 157.9
[M+K]+ 220.07344 144.2
[M+H-H2O]+ 164.10754 129.0
[M+HCOO]- 226.10848 152.3
[M+CH3COO]- 240.12413 185.3
[M+Na-2H]- 202.08495 144.0
[M]+ 181.10973 131.4
[M]- 181.11083 131.4
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.