CID 155821852

2490375-63-6

Structural Information

Molecular Formula
C9H14ClNO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)Cl
InChI
InChI=1S/C9H14ClNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKey
OLLNPMNZKJDNOI-UHFFFAOYSA-N
Compound name
3-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.06114 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06842 146.9
[M+Na]+ 258.05036 153.6
[M-H]- 234.05386 148.1
[M+NH4]+ 253.09496 159.4
[M+K]+ 274.02430 154.9
[M+H-H2O]+ 218.05840 138.9
[M+HCOO]- 280.05934 158.8
[M+CH3COO]- 294.07499 188.3
[M+Na-2H]- 256.03581 150.5
[M]+ 235.06059 158.5
[M]- 235.06169 158.5
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.