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

83
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 164.8
[M+Na]+ 282.17882 167.8
[M-H]- 258.18232 162.8
[M+NH4]+ 277.22342 177.7
[M+K]+ 298.15276 166.9
[M+H-H2O]+ 242.18686 157.6
[M+HCOO]- 304.18780 177.7
[M+CH3COO]- 318.20345 195.3
[M+Na-2H]- 280.16427 165.2
[M]+ 259.18905 161.0
[M]- 259.19015 161.0
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