CID 23282848

1-[(tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKey
OKBNEDPOUYRYNP-UHFFFAOYSA-N
Compound name
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

877
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.6
[M+Na]+ 266.13628 160.7
[M-H]- 242.13978 155.9
[M+NH4]+ 261.18088 173.1
[M+K]+ 282.11022 160.6
[M+H-H2O]+ 226.14432 150.8
[M+HCOO]- 288.14526 169.8
[M+CH3COO]- 302.16091 188.8
[M+Na-2H]- 264.12173 158.3
[M]+ 243.14651 154.3
[M]- 243.14761 154.3
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

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