CID 57105403

Tert-butyl 4-(1,2-dihydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CO)O
InChI
InChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)10(15)8-14/h9-10,14-15H,4-8H2,1-3H3
InChIKey
XBRNVLVBOVOMLS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1,2-dihydroxyethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.1627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 159.1
[M+Na]+ 268.151918 162.5
[M-H]- 244.155424 157.6
[M+NH4]+ 263.196523 173.8
[M+K]+ 284.125858 161.7
[M+H-H2O]+ 228.159960 153.3
[M+HCOO]- 290.160901 171.5
[M+CH3COO]- 304.176551 187.6
[M+Na-2H]- 266.137366 159.7
[M]+ 245.16215142 156.1
[M]- 245.16324858 156.1
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