CID 476528

Nsc654272

Structural Information

Molecular Formula
C9H15NO4
SMILES
C[C@@H]([C@@]1([C@H](NC1=O)CC(=O)OC)C)O
InChI
InChI=1S/C9H15NO4/c1-5(11)9(2)6(10-8(9)13)4-7(12)14-3/h5-6,11H,4H2,1-3H3,(H,10,13)/t5-,6+,9+/m0/s1
InChIKey
PSHYHMPELSOBGU-CCGCGBOQSA-N
Compound name
methyl 2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]-3-methyl-4-oxoazetidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 147.0
[M+Na]+ 224.08933 152.5
[M-H]- 200.09283 146.7
[M+NH4]+ 219.13393 159.0
[M+K]+ 240.06327 154.6
[M+H-H2O]+ 184.09737 137.5
[M+HCOO]- 246.09831 162.8
[M+CH3COO]- 260.11396 184.4
[M+Na-2H]- 222.07478 148.2
[M]+ 201.09956 155.7
[M]- 201.10066 155.7
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.