CID 154814347

2551118-67-1

Structural Information

Molecular Formula
C13H18F3NO5
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C(O2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C13H18F3NO5/c1-10(2,3)22-9(20)17-6-11-4-12(5-11,8(18)19)7(21-11)13(14,15)16/h7H,4-6H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
GYZCZLFLJVLKEV-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1137 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12098 184.8
[M+Na]+ 348.10292 188.8
[M-H]- 324.10642 181.1
[M+NH4]+ 343.14752 200.9
[M+K]+ 364.07686 191.4
[M+H-H2O]+ 308.11096 178.3
[M+HCOO]- 370.11190 192.7
[M+CH3COO]- 384.12755 208.4
[M+Na-2H]- 346.08837 191.0
[M]+ 325.11315 196.4
[M]- 325.11425 196.4
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.