CID 54070328

Tert-butyl 3-(1-hydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C1CCCN(C1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H23NO3/c1-9(14)10-6-5-7-13(8-10)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKey
MFZDEMSNUTXFJE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-hydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

229.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 155.6
[M+Na]+ 252.157018 159.5
[M-H]- 228.160524 155.6
[M+NH4]+ 247.201623 171.8
[M+K]+ 268.130958 159.1
[M+H-H2O]+ 212.165060 149.7
[M+HCOO]- 274.166001 169.4
[M+CH3COO]- 288.181651 188.0
[M+Na-2H]- 250.142466 156.6
[M]+ 229.16725142 153.1
[M]- 229.16834858 153.1
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