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

64
Patents

199.15723 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 148.5
[M+Na]+ 222.14645 153.1
[M-H]- 198.14995 148.5
[M+NH4]+ 217.19105 167.7
[M+K]+ 238.12039 152.1
[M+H-H2O]+ 182.15449 143.5
[M+HCOO]- 244.15543 163.4
[M+CH3COO]- 258.17108 181.0
[M+Na-2H]- 220.13190 153.0
[M]+ 199.15668 144.8
[M]- 199.15778 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