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]+ 270.17000 163.4
[M+Na]+ 292.15194 167.9
[M-H]- 268.15544 163.5
[M+NH4]+ 287.19654 178.0
[M+K]+ 308.12588 166.4
[M+H-H2O]+ 252.15998 157.5
[M+HCOO]- 314.16092 177.2
[M+CH3COO]- 328.17657 195.7
[M+Na-2H]- 290.13739 163.1
[M]+ 269.16217 162.1
[M]- 269.16327 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