CID 40429408

2-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}oxy)acetic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)OCC(=O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-7(5-11)15-6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
ASFSRFQPUZSIQT-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 152.0
[M+Na]+ 254.099888 156.1
[M-H]- 230.103394 152.5
[M+NH4]+ 249.144493 161.4
[M+K]+ 270.073828 159.9
[M+H-H2O]+ 214.107930 140.9
[M+HCOO]- 276.108871 167.9
[M+CH3COO]- 290.124521 190.0
[M+Na-2H]- 252.085336 153.8
[M]+ 231.11012142 163.0
[M]- 231.11121858 163.0
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