CID 2757383

191739-40-9

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C1CN(CC(N1)CO)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O3/c16-9-12-8-15(7-6-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2
InChIKey
WYLJXEXNZWQHBJ-UHFFFAOYSA-N
Compound name
benzyl 3-(hydroxymethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

250.13174 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 158.5
[M+Na]+ 273.120958 162.5
[M-H]- 249.124464 158.7
[M+NH4]+ 268.165563 170.9
[M+K]+ 289.094898 158.9
[M+H-H2O]+ 233.129000 149.8
[M+HCOO]- 295.129941 173.1
[M+CH3COO]- 309.145591 186.4
[M+Na-2H]- 271.106406 161.4
[M]+ 250.13119142 153.4
[M]- 250.13228858 153.4
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