CID 63709244

1260780-23-1

Structural Information

Molecular Formula
C11H16F3NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-5-4-10(6-15,7(16)17)11(12,13)14/h4-6H2,1-3H3,(H,16,17)
InChIKey
GNGVCLGQCJEPOE-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.10315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11043 158.2
[M+Na]+ 306.09237 165.1
[M-H]- 282.09587 155.3
[M+NH4]+ 301.13697 175.9
[M+K]+ 322.06631 164.4
[M+H-H2O]+ 266.10041 152.2
[M+HCOO]- 328.10135 170.2
[M+CH3COO]- 342.11700 193.3
[M+Na-2H]- 304.07782 160.0
[M]+ 283.10260 154.3
[M]- 283.10370 154.3
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