CID 58520870

1067239-25-1

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C(=O)O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-4-6(5-11)7(12)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKey
XGHUUJMOUYDGKH-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

231.11067 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 157.0
[M+Na]+ 254.09989 158.8
[M+NH4]+ 249.14449 156.8
[M+K]+ 270.07383 160.1
[M-H]- 230.10339 150.1
[M+Na-2H]- 252.08534 153.9
[M]+ 231.11012 153.5
[M]- 231.11122 153.5
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

patents stripe