CID 103616556

Tert-butyl 4-(4-(aminomethyl)benzyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-8-19(9-11-20)13-15-6-4-14(12-18)5-7-15/h4-7H,8-13,18H2,1-3H3
InChIKey
FOMCSHUOASRGHK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

305.21033 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 177.3
[M+Na]+ 328.19955 181.1
[M-H]- 304.20305 179.7
[M+NH4]+ 323.24415 188.9
[M+K]+ 344.17349 177.9
[M+H-H2O]+ 288.20759 168.2
[M+HCOO]- 350.20853 192.1
[M+CH3COO]- 364.22418 206.6
[M+Na-2H]- 326.18500 178.5
[M]+ 305.20978 174.1
[M]- 305.21088 174.1
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