CID 25260002

Tert-butyl 3-acetylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-9(14)10-6-5-7-13(8-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey
IIDISJMZFQAYKG-UHFFFAOYSA-N
Compound name
tert-butyl 3-acetylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
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

No literature data available for this compound.

Patent stripe

patents stripe