CID 165901657

En300-1071904

Structural Information

Molecular Formula
C10H16F3NO4
SMILES
CC(C)(C)OC(=O)N(CCC(=O)O)CC(F)(F)F
InChI
InChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14(5-4-7(15)16)6-10(11,12)13/h4-6H2,1-3H3,(H,15,16)
InChIKey
CXQIAWAIDLLMKP-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.10315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11043 156.3
[M+Na]+ 294.09237 162.1
[M-H]- 270.09587 152.6
[M+NH4]+ 289.13697 172.4
[M+K]+ 310.06631 162.7
[M+H-H2O]+ 254.10041 149.1
[M+HCOO]- 316.10135 172.1
[M+CH3COO]- 330.11700 199.1
[M+Na-2H]- 292.07782 158.2
[M]+ 271.10260 155.6
[M]- 271.10370 155.6
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

No patent data available for this compound.