CID 118619604

Tert-butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CO)CO
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-6-4-5-12(7-13,8-14)9-15/h14-15H,4-9H2,1-3H3
InChIKey
YWLDGGUVWJNQSH-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.1627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 158.8
[M+Na]+ 268.151918 163.4
[M-H]- 244.155424 157.6
[M+NH4]+ 263.196523 175.7
[M+K]+ 284.125858 162.5
[M+H-H2O]+ 228.159960 154.0
[M+HCOO]- 290.160901 172.3
[M+CH3COO]- 304.176551 186.3
[M+Na-2H]- 266.137366 162.0
[M]+ 245.16215142 156.9
[M]- 245.16324858 156.9
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