CID 98010222

1250959-07-9

Structural Information

Molecular Formula
C12H21NO4
SMILES
C[C@@H]1C[C@@H](CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-8-7-9(10(14)15)5-6-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1
InChIKey
JYCRXMSJGZWACP-RKDXNWHRSA-N
Compound name
(2R,4R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

243.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.9
[M+Na]+ 266.13628 160.9
[M-H]- 242.13978 156.2
[M+NH4]+ 261.18088 171.6
[M+K]+ 282.11022 160.5
[M+H-H2O]+ 226.14432 150.3
[M+HCOO]- 288.14526 170.1
[M+CH3COO]- 302.16091 190.5
[M+Na-2H]- 264.12173 156.5
[M]+ 243.14651 154.5
[M]- 243.14761 154.5
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