CID 13221875

89500-39-0

Structural Information

Molecular Formula
C9H17NO5
SMILES
CC(C)(C)OC(=O)NC(C)(CO)C(=O)O
InChI
InChI=1S/C9H17NO5/c1-8(2,3)15-7(14)10-9(4,5-11)6(12)13/h11H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKey
FWRXDSRYWWYTPD-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

219.11067 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11795 148.4
[M+Na]+ 242.09989 153.4
[M+NH4]+ 237.14449 151.9
[M+K]+ 258.07383 153.5
[M-H]- 218.10339 143.2
[M+Na-2H]- 240.08534 147.8
[M]+ 219.11012 147.0
[M]- 219.11122 147.0
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

patents stripe