CID 2756369

811841-98-2

Structural Information

Molecular Formula
C12H25N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC(CN)O
InChI
InChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3
InChIKey
DNMYILASPHUVFX-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-amino-2-hydroxypropyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

259.1896 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.19688 162.3
[M+Na]+ 282.17882 168.3
[M+NH4]+ 277.22342 166.7
[M+K]+ 298.15276 166.2
[M-H]- 258.18232 160.0
[M+Na-2H]- 280.16427 162.8
[M]+ 259.18905 161.9
[M]- 259.19015 161.9
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