CID 2764081

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

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CO
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9,13H,4-8H2,1-3H3
InChIKey
CTEDVGRUGMPBHE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4772
Patents

215.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 151.7
[M+Na]+ 238.14137 156.3
[M-H]- 214.14487 151.8
[M+NH4]+ 233.18597 168.5
[M+K]+ 254.11531 155.5
[M+H-H2O]+ 198.14941 145.8
[M+HCOO]- 260.15035 166.8
[M+CH3COO]- 274.16600 184.0
[M+Na-2H]- 236.12682 154.4
[M]+ 215.15160 149.4
[M]- 215.15270 149.4
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