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

50
Patents

306.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 176.4
[M+Na]+ 329.183558 179.4
[M-H]- 305.187064 177.5
[M+NH4]+ 324.228163 187.4
[M+K]+ 345.157498 176.4
[M+H-H2O]+ 289.191600 167.3
[M+HCOO]- 351.192541 189.5
[M+CH3COO]- 365.208191 200.5
[M+Na-2H]- 327.169006 178.4
[M]+ 306.19379142 174.0
[M]- 306.19488858 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

No patent data available for this compound.