CID 17750452

(r)-n1-boc-2-(benzyloxymethyl)piperazine

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCNC[C@@H]1COCC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-18-11-15(19)13-21-12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3/t15-/m1/s1
InChIKey
JCGBMAPLKMXMKO-OAHLLOKOSA-N
Compound name
tert-butyl (2R)-2-(phenylmethoxymethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

306.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.4
[M+Na]+ 329.18356 179.4
[M-H]- 305.18706 177.5
[M+NH4]+ 324.22816 187.4
[M+K]+ 345.15750 176.4
[M+H-H2O]+ 289.19160 167.3
[M+HCOO]- 351.19254 189.5
[M+CH3COO]- 365.20819 200.5
[M+Na-2H]- 327.16901 178.4
[M]+ 306.19379 174.0
[M]- 306.19489 174.0
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