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]+ 257.14958 157.7
[M+Na]+ 279.13152 159.5
[M-H]- 255.13502 159.3
[M+NH4]+ 274.17612 158.2
[M+K]+ 295.10546 165.1
[M+H-H2O]+ 239.13956 141.1
[M+HCOO]- 301.14050 168.7
[M+CH3COO]- 315.15615 204.0
[M+Na-2H]- 277.11697 157.1
[M]+ 256.14175 173.3
[M]- 256.14285 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.