CID 131092087

Tert-butyl n-[(2s,3s)-3-amino-1-hydroxybutan-2-yl]carbamate

Structural Information

Molecular Formula
C9H20N2O3
SMILES
C[C@@H]([C@@H](CO)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H20N2O3/c1-6(10)7(5-12)11-8(13)14-9(2,3)4/h6-7,12H,5,10H2,1-4H3,(H,11,13)/t6-,7+/m0/s1
InChIKey
LIVUZRASEMVBNR-NKWVEPMBSA-N
Compound name
tert-butyl N-[(2S,3S)-3-amino-1-hydroxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1474 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15468 149.8
[M+Na]+ 227.13662 153.8
[M-H]- 203.14012 148.1
[M+NH4]+ 222.18122 167.4
[M+K]+ 243.11056 154.3
[M+H-H2O]+ 187.14466 144.6
[M+HCOO]- 249.14560 169.0
[M+CH3COO]- 263.16125 189.0
[M+Na-2H]- 225.12207 151.1
[M]+ 204.14685 148.5
[M]- 204.14795 148.5
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.