CID 124709281

Rac-(3r,4r)-1-tert-butyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H16F3NO2
SMILES
CC(C)(C)N1C[C@@H]([C@H](C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H16F3NO2/c1-9(2,3)14-4-6(8(15)16)7(5-14)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,15,16)/t6-,7-/m0/s1
InChIKey
IMULPCBPSUHLJP-BQBZGAKWSA-N
Compound name
(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11331 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12059 150.8
[M+Na]+ 262.10253 158.1
[M-H]- 238.10603 147.9
[M+NH4]+ 257.14713 168.6
[M+K]+ 278.07647 156.2
[M+H-H2O]+ 222.11057 143.8
[M+HCOO]- 284.11151 163.3
[M+CH3COO]- 298.12716 189.2
[M+Na-2H]- 260.08798 151.4
[M]+ 239.11276 145.0
[M]- 239.11386 145.0
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

No patent data available for this compound.