CID 11768865

(s)-tert-butyl 2-amino-3-hydroxypropanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(C)(C)OC(=O)[C@H](CO)N
InChI
InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)5(8)4-9/h5,9H,4,8H2,1-3H3/t5-/m0/s1
InChIKey
XHWXHVOIWMNRLH-YFKPBYRVSA-N
Compound name
tert-butyl (2S)-2-amino-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

942
Patents

161.1052 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 136.5
[M+Na]+ 184.09442 142.4
[M-H]- 160.09792 135.1
[M+NH4]+ 179.13902 156.3
[M+K]+ 200.06836 142.8
[M+H-H2O]+ 144.10246 132.2
[M+HCOO]- 206.10340 156.3
[M+CH3COO]- 220.11905 177.5
[M+Na-2H]- 182.07987 139.9
[M]+ 161.10465 136.1
[M]- 161.10575 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe