CID 66002527

1494153-88-6

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)NCC(C)(CC(=O)O)O
InChI
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6-10(4,15)5-7(12)13/h15H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKey
QEOTXFAXGLTENY-UHFFFAOYSA-N
Compound name
3-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

233.12633 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 152.7
[M+Na]+ 256.11555 157.5
[M-H]- 232.11905 150.1
[M+NH4]+ 251.16015 169.0
[M+K]+ 272.08949 157.7
[M+H-H2O]+ 216.12359 148.4
[M+HCOO]- 278.12453 169.8
[M+CH3COO]- 292.14018 187.9
[M+Na-2H]- 254.10100 156.6
[M]+ 233.12578 154.2
[M]- 233.12688 154.2
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