CID 69906343

681128-43-8

Structural Information

Molecular Formula
C12H19F2NO4
SMILES
CC(C)(C)OC(=O)NC(CC1CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-8(9(16)17)4-7-5-12(13,14)6-7/h7-8H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
FZKXCGBTNRNDOX-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

279.1282 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13548 175.0
[M+Na]+ 302.11742 174.8
[M+NH4]+ 297.16202 175.4
[M+K]+ 318.09136 172.8
[M-H]- 278.12092 167.1
[M+Na-2H]- 300.10287 172.2
[M]+ 279.12765 171.0
[M]- 279.12875 171.0
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