CID 137698646

2145574-11-2

Structural Information

Molecular Formula
C14H22F3NO4
SMILES
CC(C)(C)OC(=O)NC(C1CCCC(C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H22F3NO4/c1-13(2,3)22-12(21)18-10(11(19)20)8-5-4-6-9(7-8)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
QZZOKDOMUMZFFN-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1501 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15738 171.4
[M+Na]+ 348.13932 174.2
[M-H]- 324.14282 168.5
[M+NH4]+ 343.18392 184.3
[M+K]+ 364.11326 173.2
[M+H-H2O]+ 308.14736 163.6
[M+HCOO]- 370.14830 181.6
[M+CH3COO]- 384.16395 206.6
[M+Na-2H]- 346.12477 170.3
[M]+ 325.14955 164.2
[M]- 325.15065 164.2
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.