CID 735736

77279-24-4

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCO
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3
InChIKey
VRXIOAYUQIITBU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1194
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 156.7
[M+Na]+ 253.152258 161.3
[M-H]- 229.155764 155.3
[M+NH4]+ 248.196863 171.5
[M+K]+ 269.126198 160.3
[M+H-H2O]+ 213.160300 149.8
[M+HCOO]- 275.161241 170.4
[M+CH3COO]- 289.176891 186.8
[M+Na-2H]- 251.137706 159.3
[M]+ 230.16249142 154.9
[M]- 230.16358858 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe