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

63
Patents

229.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 155.5
[M+Na]+ 252.15702 160.1
[M-H]- 228.16052 156.8
[M+NH4]+ 247.20162 172.4
[M+K]+ 268.13096 160.0
[M+H-H2O]+ 212.16506 149.1
[M+HCOO]- 274.16600 171.8
[M+CH3COO]- 288.18165 189.7
[M+Na-2H]- 250.14247 158.1
[M]+ 229.16725 155.5
[M]- 229.16835 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