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

117
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 157.5
[M+Na]+ 253.15226 161.6
[M-H]- 229.15576 154.7
[M+NH4]+ 248.19686 171.6
[M+K]+ 269.12620 159.8
[M+H-H2O]+ 213.16030 150.9
[M+HCOO]- 275.16124 169.7
[M+CH3COO]- 289.17689 184.3
[M+Na-2H]- 251.13771 159.6
[M]+ 230.16249 153.8
[M]- 230.16359 153.8
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