CID 3356505

Tert-butyl 3-methylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC1CNCCC1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO2/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKey
AVBWGECREPOGMS-UHFFFAOYSA-N
Compound name
tert-butyl 3-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.15723 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 148.5
[M+Na]+ 222.146448 153.2
[M-H]- 198.149954 148.6
[M+NH4]+ 217.191053 166.0
[M+K]+ 238.120388 151.8
[M+H-H2O]+ 182.154490 142.9
[M+HCOO]- 244.155431 163.4
[M+CH3COO]- 258.171081 182.6
[M+Na-2H]- 220.131896 151.1
[M]+ 199.15668142 144.9
[M]- 199.15777858 144.9
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