CID 45072427

889952-23-2

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CC(C2)C(=O)O
InChI
InChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)14-6-9(7-14)13-4-8(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKey
FSDORFCIXZXBGI-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 157.7
[M+Na]+ 279.131518 159.5
[M-H]- 255.135024 159.3
[M+NH4]+ 274.176123 158.2
[M+K]+ 295.105458 165.1
[M+H-H2O]+ 239.139560 141.1
[M+HCOO]- 301.140501 168.7
[M+CH3COO]- 315.156151 204.0
[M+Na-2H]- 277.116966 157.1
[M]+ 256.14175142 173.3
[M]- 256.14284858 173.3
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.