CID 22258917

Tert-butyl 3-formyl-3-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CCCN(C1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-5-6-12(4,8-13)9-14/h9H,5-8H2,1-4H3
InChIKey
GFIQXPZTOFYEMI-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-3-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

227.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.7
[M+Na]+ 250.14137 162.6
[M+NH4]+ 245.18597 161.3
[M+K]+ 266.11531 156.7
[M-H]- 226.14487 152.7
[M+Na-2H]- 248.12682 158.0
[M]+ 227.15160 154.6
[M]- 227.15270 154.6
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