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]+ 246.16998 159.1
[M+Na]+ 268.15192 162.5
[M-H]- 244.15542 157.6
[M+NH4]+ 263.19652 173.8
[M+K]+ 284.12586 161.7
[M+H-H2O]+ 228.15996 153.3
[M+HCOO]- 290.16090 171.5
[M+CH3COO]- 304.17655 187.6
[M+Na-2H]- 266.13737 159.7
[M]+ 245.16215 156.1
[M]- 245.16325 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