CID 118703239

1370018-27-1

Structural Information

Molecular Formula
C9H13NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1=O)C(=O)O
InChI
InChI=1S/C9H13NO5/c1-9(2,3)15-8(14)10-4-5(6(10)11)7(12)13/h5H,4H2,1-3H3,(H,12,13)
InChIKey
RAFPPTCCCBDDOC-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.086656 145.6
[M+Na]+ 238.068598 151.2
[M-H]- 214.072104 146.6
[M+NH4]+ 233.113203 155.8
[M+K]+ 254.042538 154.6
[M+H-H2O]+ 198.076640 135.1
[M+HCOO]- 260.077581 161.9
[M+CH3COO]- 274.093231 187.5
[M+Na-2H]- 236.054046 147.3
[M]+ 215.07883142 155.9
[M]- 215.07992858 155.9
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.