CID 167736710

En300-45207084

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC(=O)C[C@@H](O1)CC(=O)O
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-7-10-5-8(15)4-9(19-10)6-11(16)17/h9-10H,4-7H2,1-3H3,(H,14,18)(H,16,17)/t9-,10+/m1/s1
InChIKey
ZONMZFQGZZUVMI-ZJUUUORDSA-N
Compound name
2-[(2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxooxan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1369 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 164.3
[M+Na]+ 310.12612 168.0
[M-H]- 286.12962 166.4
[M+NH4]+ 305.17072 177.6
[M+K]+ 326.10006 168.9
[M+H-H2O]+ 270.13416 158.4
[M+HCOO]- 332.13510 180.1
[M+CH3COO]- 346.15075 199.9
[M+Na-2H]- 308.11157 166.0
[M]+ 287.13635 164.8
[M]- 287.13745 164.8
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

No patent data available for this compound.