CID 53407692

Tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)CCO
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-12-9(8-13)4-7-14/h9,12,14H,4-8H2,1-3H3
InChIKey
FPQSSQQQKLJLPA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 155.6
[M+Na]+ 253.15226 163.1
[M+NH4]+ 248.19686 160.6
[M+K]+ 269.12620 160.1
[M-H]- 229.15576 153.0
[M+Na-2H]- 251.13771 156.8
[M]+ 230.16249 155.4
[M]- 230.16359 155.4
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