CID 135393192

2231676-48-3

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)N(C)C1(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14(4)10(7(15)16)5-11(12,13)6-10/h5-6H2,1-4H3,(H,15,16)
InChIKey
OEHSTQRYVXRMCX-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.11258 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 161.8
[M+Na]+ 288.10180 166.7
[M-H]- 264.10530 162.9
[M+NH4]+ 283.14640 175.3
[M+K]+ 304.07574 170.6
[M+H-H2O]+ 248.10984 152.4
[M+HCOO]- 310.11078 177.6
[M+CH3COO]- 324.12643 201.0
[M+Na-2H]- 286.08725 163.8
[M]+ 265.11203 170.0
[M]- 265.11313 170.0
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