CID 72207862

1363382-41-5

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-6-10(7(15)16)4-11(12,13)5-10/h4-6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
JLNGYRXKVKIZNJ-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

265.11258 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 162.6
[M+Na]+ 288.10180 167.3
[M-H]- 264.10530 162.3
[M+NH4]+ 283.14640 175.5
[M+K]+ 304.07574 169.8
[M+H-H2O]+ 248.10984 153.2
[M+HCOO]- 310.11078 177.8
[M+CH3COO]- 324.12643 197.7
[M+Na-2H]- 286.08725 165.2
[M]+ 265.11203 169.6
[M]- 265.11313 169.6
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