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

84
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 154.7
[M+Na]+ 254.09989 158.0
[M-H]- 230.10339 153.8
[M+NH4]+ 249.14449 163.2
[M+K]+ 270.07383 161.4
[M+H-H2O]+ 214.10793 143.6
[M+HCOO]- 276.10887 167.9
[M+CH3COO]- 290.12452 188.6
[M+Na-2H]- 252.08534 154.5
[M]+ 231.11012 163.1
[M]- 231.11122 163.1
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