CID 165748254

2803862-49-7

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#C)C(=O)O
InChI
InChI=1S/C13H19NO4/c1-5-13(10(15)16)6-8-14(9-7-13)11(17)18-12(2,3)4/h1H,6-9H2,2-4H3,(H,15,16)
InChIKey
AUDWDRGMSPYZPF-UHFFFAOYSA-N
Compound name
4-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 158.9
[M+Na]+ 276.120628 166.3
[M-H]- 252.124134 158.2
[M+NH4]+ 271.165233 173.9
[M+K]+ 292.094568 163.7
[M+H-H2O]+ 236.128670 148.0
[M+HCOO]- 298.129611 168.1
[M+CH3COO]- 312.145261 197.3
[M+Na-2H]- 274.106076 160.2
[M]+ 253.13086142 152.0
[M]- 253.13195858 152.0
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.