CID 59433413

Ethyl 4-formyl-4-methylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)N1CCC(CC1)(C)C=O
InChI
InChI=1S/C10H17NO3/c1-3-14-9(13)11-6-4-10(2,8-12)5-7-11/h8H,3-7H2,1-2H3
InChIKey
ROJGRMNQJIINDW-UHFFFAOYSA-N
Compound name
ethyl 4-formyl-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

199.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.0
[M+Na]+ 222.11007 150.2
[M-H]- 198.11357 145.7
[M+NH4]+ 217.15467 164.0
[M+K]+ 238.08401 149.8
[M+H-H2O]+ 182.11811 138.4
[M+HCOO]- 244.11905 162.8
[M+CH3COO]- 258.13470 182.6
[M+Na-2H]- 220.09552 148.2
[M]+ 199.12030 143.5
[M]- 199.12140 143.5
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