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]+ 205.154676 149.8
[M+Na]+ 227.136618 153.8
[M-H]- 203.140124 148.1
[M+NH4]+ 222.181223 167.4
[M+K]+ 243.110558 154.3
[M+H-H2O]+ 187.144660 144.6
[M+HCOO]- 249.145601 169.0
[M+CH3COO]- 263.161251 189.0
[M+Na-2H]- 225.122066 151.1
[M]+ 204.14685142 148.5
[M]- 204.14794858 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.