CID 15087789

120737-77-1

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-14-12-18(13-15-8-6-5-7-9-15)10-11-19(14)16(20)21-17(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKey
ZPDZNQZBTLCTDV-UHFFFAOYSA-N
Compound name
tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

290.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.8
[M+Na]+ 313.18865 177.4
[M-H]- 289.19215 175.8
[M+NH4]+ 308.23325 185.6
[M+K]+ 329.16259 174.6
[M+H-H2O]+ 273.19669 163.9
[M+HCOO]- 335.19763 187.2
[M+CH3COO]- 349.21328 202.2
[M+Na-2H]- 311.17410 174.5
[M]+ 290.19888 171.2
[M]- 290.19998 171.2
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