CID 63123573

Tert-butyl 4-methylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC1(CCNCC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO2/c1-10(2,3)14-9(13)11(4)5-7-12-8-6-11/h12H,5-8H2,1-4H3
InChIKey
LCYTVQCCTFSJQX-UHFFFAOYSA-N
Compound name
tert-butyl 4-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

199.15723 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 148.5
[M+Na]+ 222.146448 153.1
[M-H]- 198.149954 148.5
[M+NH4]+ 217.191053 167.7
[M+K]+ 238.120388 152.1
[M+H-H2O]+ 182.154490 143.5
[M+HCOO]- 244.155431 163.4
[M+CH3COO]- 258.171081 181.0
[M+Na-2H]- 220.131896 153.0
[M]+ 199.15668142 144.8
[M]- 199.15777858 144.8
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