CID 53973455

166388-52-9

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCOCCO
InChI
InChI=1S/C13H26N2O4/c1-13(2,3)19-12(17)15-6-4-14(5-7-15)8-10-18-11-9-16/h16H,4-11H2,1-3H3
InChIKey
JTFRLUUZUYTSRT-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

274.18927 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.1
[M+Na]+ 297.178488 171.7
[M-H]- 273.181994 166.3
[M+NH4]+ 292.223093 181.0
[M+K]+ 313.152428 170.9
[M+H-H2O]+ 257.186530 160.6
[M+HCOO]- 319.187471 181.4
[M+CH3COO]- 333.203121 195.0
[M+Na-2H]- 295.163936 169.9
[M]+ 274.18872142 168.5
[M]- 274.18981858 168.5
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