CID 58520763

1154760-03-8

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-10(15,6-11)4-7(12)13/h15H,4-6H2,1-3H3,(H,12,13)
InChIKey
ZIMRMQDBEWKPRQ-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

231.11067 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 154.7
[M+Na]+ 254.099888 159.2
[M-H]- 230.103394 154.1
[M+NH4]+ 249.144493 165.4
[M+K]+ 270.073828 162.2
[M+H-H2O]+ 214.107930 145.3
[M+HCOO]- 276.108871 168.9
[M+CH3COO]- 290.124521 187.2
[M+Na-2H]- 252.085336 157.1
[M]+ 231.11012142 164.2
[M]- 231.11121858 164.2
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

patents stripe