CID 45925980

1212064-03-3

Structural Information

Molecular Formula
C11H16F3NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-4-6(8(16)17)7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7-/m1/s1
InChIKey
DIFRWCMZFYQBQP-RNFRBKRXSA-N
Compound name
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

283.10315 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11043 158.9
[M+Na]+ 306.09237 165.8
[M-H]- 282.09587 156.0
[M+NH4]+ 301.13697 174.8
[M+K]+ 322.06631 164.8
[M+H-H2O]+ 266.10041 151.9
[M+HCOO]- 328.10135 170.9
[M+CH3COO]- 342.11700 195.0
[M+Na-2H]- 304.07782 158.5
[M]+ 283.10260 155.0
[M]- 283.10370 155.0
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

patents stripe