CID 194239

H-thr-otbu hcl

Structural Information

Molecular Formula
C8H17NO3
SMILES
C[C@H]([C@@H](C(=O)OC(C)(C)C)N)O
InChI
InChI=1S/C8H17NO3/c1-5(10)6(9)7(11)12-8(2,3)4/h5-6,10H,9H2,1-4H3/t5-,6+/m1/s1
InChIKey
XASPGLPXANLVTJ-RITPCOANSA-N
Compound name
tert-butyl (2S,3R)-2-amino-3-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

571
Patents

175.12085 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 140.9
[M+Na]+ 198.11007 146.2
[M-H]- 174.11357 139.4
[M+NH4]+ 193.15467 160.0
[M+K]+ 214.08401 146.9
[M+H-H2O]+ 158.11811 136.5
[M+HCOO]- 220.11905 159.4
[M+CH3COO]- 234.13470 181.5
[M+Na-2H]- 196.09552 142.5
[M]+ 175.12030 140.2
[M]- 175.12140 140.2
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