CID 79420903

1513003-16-1

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC#C)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h1H,6-10H2,2-4H3,(H,16,17)
InChIKey
DQNNYUPLJIZQNL-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-ynylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 162.7
[M+Na]+ 290.136278 169.8
[M-H]- 266.139784 161.9
[M+NH4]+ 285.180883 177.3
[M+K]+ 306.110218 166.9
[M+H-H2O]+ 250.144320 151.7
[M+HCOO]- 312.145261 171.6
[M+CH3COO]- 326.160911 200.0
[M+Na-2H]- 288.121726 163.7
[M]+ 267.14651142 156.2
[M]- 267.14760858 156.2
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