CID 139022697

2344679-50-9

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)NCC1CN(C1)CC(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-4-8-5-13(6-8)7-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKey
FNPWJPLVWXFPKN-UHFFFAOYSA-N
Compound name
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 160.7
[M+Na]+ 267.131518 163.4
[M-H]- 243.135024 160.8
[M+NH4]+ 262.176123 169.1
[M+K]+ 283.105458 166.4
[M+H-H2O]+ 227.139560 148.6
[M+HCOO]- 289.140501 176.8
[M+CH3COO]- 303.156151 195.8
[M+Na-2H]- 265.116966 161.7
[M]+ 244.14175142 169.7
[M]- 244.14284858 169.7
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

No patent data available for this compound.