CID 21989877

Tert-butyl 4-(methoxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COC
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(14)13-7-5-10(6-8-13)9-15-4/h10H,5-9H2,1-4H3
InChIKey
KDOINXYPVJQGPE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(methoxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

229.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 155.5
[M+Na]+ 252.157018 160.1
[M-H]- 228.160524 156.8
[M+NH4]+ 247.201623 172.4
[M+K]+ 268.130958 160.0
[M+H-H2O]+ 212.165060 149.1
[M+HCOO]- 274.166001 171.8
[M+CH3COO]- 288.181651 189.7
[M+Na-2H]- 250.142466 158.1
[M]+ 229.16725142 155.5
[M]- 229.16834858 155.5
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