CID 118998190

1936649-94-3

Structural Information

Molecular Formula
C11H17F2NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC(C1)(F)F)C(=O)O
InChI
InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(17)14-10(7(15)16)4-5-11(12,13)6-10/h4-6H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
HRJGLGFSNZFIPQ-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.11258 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11986 154.6
[M+Na]+ 288.10180 161.0
[M-H]- 264.10530 154.1
[M+NH4]+ 283.14640 175.8
[M+K]+ 304.07574 160.3
[M+H-H2O]+ 248.10984 150.4
[M+HCOO]- 310.11078 171.4
[M+CH3COO]- 324.12643 192.9
[M+Na-2H]- 286.08725 157.6
[M]+ 265.11203 151.6
[M]- 265.11313 151.6
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