CID 13819295

70930-18-6

Structural Information

Molecular Formula
C10H19NO5
SMILES
CCOC(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO5/c1-5-15-8(13)7(6-12)11-9(14)16-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKey
YNMDDOYAIULGRO-ZETCQYMHSA-N
Compound name
ethyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

233.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 153.6
[M+Na]+ 256.11555 158.2
[M-H]- 232.11905 152.2
[M+NH4]+ 251.16015 170.5
[M+K]+ 272.08949 159.3
[M+H-H2O]+ 216.12359 148.5
[M+HCOO]- 278.12453 172.7
[M+CH3COO]- 292.14018 190.1
[M+Na-2H]- 254.10100 155.6
[M]+ 233.12578 156.7
[M]- 233.12688 156.7
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