CID 20592434

Tert-butyl 4-formylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C=O
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-11(8-13)5-7-12/h8H,4-7H2,1-3H3
InChIKey
NKFAHRCLUXUXTJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-formylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

214.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 149.8
[M+Na]+ 237.12096 155.6
[M-H]- 213.12446 150.0
[M+NH4]+ 232.16556 165.9
[M+K]+ 253.09490 155.2
[M+H-H2O]+ 197.12900 143.0
[M+HCOO]- 259.12994 165.6
[M+CH3COO]- 273.14559 185.5
[M+Na-2H]- 235.10641 153.5
[M]+ 214.13119 148.9
[M]- 214.13229 148.9
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