CID 64146463

2-{[(tert-butoxy)carbonyl]amino}-4-(2,2,2-trifluoroethoxy)butanoic acid

Structural Information

Molecular Formula
C11H18F3NO5
SMILES
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H18F3NO5/c1-10(2,3)20-9(18)15-7(8(16)17)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
WNRVREAHHSBTRB-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,2,2-trifluoroethoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1137 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12098 163.9
[M+Na]+ 324.10292 168.6
[M-H]- 300.10642 158.4
[M+NH4]+ 319.14752 177.8
[M+K]+ 340.07686 168.7
[M+H-H2O]+ 284.11096 156.4
[M+HCOO]- 346.11190 178.0
[M+CH3COO]- 360.12755 201.7
[M+Na-2H]- 322.08837 164.9
[M]+ 301.11315 163.0
[M]- 301.11425 163.0
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

No patent data available for this compound.