CID 89949738

1082207-48-4

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C=C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-5-13(10(15)16)6-8-14(9-7-13)11(17)18-12(2,3)4/h5H,1,6-9H2,2-4H3,(H,15,16)
InChIKey
RBRHRDBZSUVEAL-UHFFFAOYSA-N
Compound name
4-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.6
[M+Na]+ 278.13628 163.5
[M-H]- 254.13978 158.7
[M+NH4]+ 273.18088 175.5
[M+K]+ 294.11022 162.6
[M+H-H2O]+ 238.14432 153.7
[M+HCOO]- 300.14526 172.7
[M+CH3COO]- 314.16091 190.9
[M+Na-2H]- 276.12173 160.8
[M]+ 255.14651 156.9
[M]- 255.14761 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe