CID 130303114

1402667-09-7

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CCN
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)15-6-4-14(5-7-15)8-9-18/h4-7H,8-13,18H2,1-3H3
InChIKey
OMJJPQJLACOBFM-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

305.21033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 175.6
[M+Na]+ 328.19955 185.3
[M+NH4]+ 323.24415 181.5
[M+K]+ 344.17349 180.1
[M-H]- 304.20305 177.4
[M+Na-2H]- 326.18500 180.3
[M]+ 305.20978 177.2
[M]- 305.21088 177.2
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