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

55
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 152.0
[M+Na]+ 254.09989 156.1
[M-H]- 230.10339 152.5
[M+NH4]+ 249.14449 161.4
[M+K]+ 270.07383 159.9
[M+H-H2O]+ 214.10793 140.9
[M+HCOO]- 276.10887 167.9
[M+CH3COO]- 290.12452 190.0
[M+Na-2H]- 252.08534 153.8
[M]+ 231.11012 163.0
[M]- 231.11122 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