CID 2756816

Methyl 4-boc-piperazine-2-acetate

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)CC(=O)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-9(8-14)7-10(15)17-4/h9,13H,5-8H2,1-4H3
InChIKey
VLMVFRLASKOYKX-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

258.15796 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 161.9
[M+Na]+ 281.14718 166.0
[M-H]- 257.15068 160.4
[M+NH4]+ 276.19178 175.4
[M+K]+ 297.12112 165.4
[M+H-H2O]+ 241.15522 155.0
[M+HCOO]- 303.15616 174.8
[M+CH3COO]- 317.17181 191.3
[M+Na-2H]- 279.13263 163.1
[M]+ 258.15741 160.5
[M]- 258.15851 160.5
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