CID 10515301

155302-06-0

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-6-13(4,5)8-9(14)10(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKey
MYPAWYSOGSZUNS-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

257.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 158.7
[M+Na]+ 280.15194 164.3
[M-H]- 256.15544 159.2
[M+NH4]+ 275.19654 176.0
[M+K]+ 296.12588 164.0
[M+H-H2O]+ 240.15998 154.2
[M+HCOO]- 302.16092 172.6
[M+CH3COO]- 316.17657 193.1
[M+Na-2H]- 278.13739 160.4
[M]+ 257.16217 158.2
[M]- 257.16327 158.2
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