CID 129240892

2408957-36-6

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C(=O)O)N1CC(C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20N2O4/c1-7(9(14)15)13-5-8(6-13)12-10(16)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKey
IVAJGYICYIVLPX-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

244.1423 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 161.8
[M+Na]+ 267.13152 164.2
[M-H]- 243.13502 162.0
[M+NH4]+ 262.17612 170.2
[M+K]+ 283.10546 167.8
[M+H-H2O]+ 227.13956 149.7
[M+HCOO]- 289.14050 176.9
[M+CH3COO]- 303.15615 196.7
[M+Na-2H]- 265.11697 161.6
[M]+ 244.14175 170.1
[M]- 244.14285 170.1
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