CID 79420984

1-[(tert-butoxy)carbonyl]-3-(prop-2-yn-1-yl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CC#C)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-5-7-14(11(16)17)8-6-9-15(10-14)12(18)19-13(2,3)4/h1H,6-10H2,2-4H3,(H,16,17)
InChIKey
RNNBYMJFJVRSSS-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-ynylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 158.8
[M+Na]+ 290.13628 166.3
[M+NH4]+ 285.18088 161.5
[M+K]+ 306.11022 158.9
[M-H]- 266.13978 148.8
[M+Na-2H]- 288.12173 158.8
[M]+ 267.14651 156.0
[M]- 267.14761 156.0
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.