CID 57071930

233745-94-3

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)C=C)CC(=O)O
InChI
InChI=1S/C14H23NO4/c1-5-10-9-15(13(18)19-14(2,3)4)7-6-11(10)8-12(16)17/h5,10-11H,1,6-9H2,2-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKey
KTJUYAJAEKYFNH-QWRGUYRKSA-N
Compound name
2-[(3R,4S)-3-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 163.4
[M+Na]+ 292.151938 167.9
[M-H]- 268.155444 163.5
[M+NH4]+ 287.196543 178.0
[M+K]+ 308.125878 166.4
[M+H-H2O]+ 252.159980 157.5
[M+HCOO]- 314.160921 177.2
[M+CH3COO]- 328.176571 195.7
[M+Na-2H]- 290.137386 163.1
[M]+ 269.16217142 162.1
[M]- 269.16326858 162.1
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