CID 2795509

Tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKey
KHORERZDMJTBMR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

290.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.9
[M+Na]+ 313.15228 175.2
[M-H]- 289.15578 173.2
[M+NH4]+ 308.19688 182.6
[M+K]+ 329.12622 172.7
[M+H-H2O]+ 273.16032 161.2
[M+HCOO]- 335.16126 185.1
[M+CH3COO]- 349.17691 200.4
[M+Na-2H]- 311.13773 172.4
[M]+ 290.16251 168.8
[M]- 290.16361 168.8
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