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

11
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 168.3
[M+Na]+ 302.11742 171.4
[M-H]- 278.12092 167.4
[M+NH4]+ 297.16202 178.5
[M+K]+ 318.09136 174.1
[M+H-H2O]+ 262.12546 157.0
[M+HCOO]- 324.12640 182.2
[M+CH3COO]- 338.14205 201.8
[M+Na-2H]- 300.10287 167.6
[M]+ 279.12765 174.5
[M]- 279.12875 174.5
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