CID 10987983

4-acetyl-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey
HNVBBNZWMSTMAZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-acetylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

895
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.1
[M+Na]+ 250.14137 157.8
[M-H]- 226.14487 154.6
[M+NH4]+ 245.18597 170.0
[M+K]+ 266.11531 157.6
[M+H-H2O]+ 210.14941 147.1
[M+HCOO]- 272.15035 168.7
[M+CH3COO]- 286.16600 189.6
[M+Na-2H]- 248.12682 154.7
[M]+ 227.15160 151.8
[M]- 227.15270 151.8
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

patents stripe