CID 96734114

2247102-15-2

Structural Information

Molecular Formula
C6H10F3N
SMILES
C[C@@H]1C[C@@H](CN1)C(F)(F)F
InChI
InChI=1S/C6H10F3N/c1-4-2-5(3-10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey
IIVOUOGIEWBEEM-UHNVWZDZSA-N
Compound name
(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.07654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 128.8
[M+Na]+ 176.065758 136.4
[M-H]- 152.069264 125.6
[M+NH4]+ 171.110363 149.8
[M+K]+ 192.039698 134.2
[M+H-H2O]+ 136.073800 121.3
[M+HCOO]- 198.074741 144.6
[M+CH3COO]- 212.090391 172.2
[M+Na-2H]- 174.051206 132.0
[M]+ 153.07599142 120.2
[M]- 153.07708858 120.2
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

patents stripe