CID 135290704

2242426-49-7

Structural Information

Molecular Formula
C11H18F3NO4
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)C(F)(F)F
InChI
InChI=1S/C11H18F3NO4/c1-9(2,3)19-8(18)15-6(7(16)17)10(4,5)11(12,13)14/h6H,1-5H3,(H,15,18)(H,16,17)
InChIKey
TYQRGOIPUSJXNX-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

285.1188 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12608 158.9
[M+Na]+ 308.10802 164.2
[M-H]- 284.11152 154.0
[M+NH4]+ 303.15262 173.8
[M+K]+ 324.08196 164.4
[M+H-H2O]+ 268.11606 152.5
[M+HCOO]- 330.11700 171.3
[M+CH3COO]- 344.13265 200.1
[M+Na-2H]- 306.09347 161.2
[M]+ 285.11825 156.1
[M]- 285.11935 156.1
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