CID 12148230

Tert-butyl 4-formyl-4-methoxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C=O)OC
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-5-12(9-14,16-4)6-8-13/h9H,5-8H2,1-4H3
InChIKey
PRIQAXXGGCHOGW-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-4-methoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

243.14706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 155.3
[M+Na]+ 266.13628 161.1
[M-H]- 242.13978 157.0
[M+NH4]+ 261.18088 173.6
[M+K]+ 282.11022 161.3
[M+H-H2O]+ 226.14432 150.0
[M+HCOO]- 288.14526 172.1
[M+CH3COO]- 302.16091 190.4
[M+Na-2H]- 264.12173 159.7
[M]+ 243.14651 156.5
[M]- 243.14761 156.5
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