CID 637603

(r)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid

Structural Information

Molecular Formula
C8H15NO5
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(=O)O
InChI
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
InChIKey
FHOAKXBXYSJBGX-RXMQYKEDSA-N
Compound name
(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6371
Patents

205.09502 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10230 144.8
[M+Na]+ 228.08424 149.7
[M-H]- 204.08774 142.3
[M+NH4]+ 223.12884 162.0
[M+K]+ 244.05818 150.4
[M+H-H2O]+ 188.09228 140.2
[M+HCOO]- 250.09322 163.0
[M+CH3COO]- 264.10887 182.3
[M+Na-2H]- 226.06969 147.2
[M]+ 205.09447 145.3
[M]- 205.09557 145.3
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