CID 120920

2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula
C12H14F3NO
SMILES
CC1C(CCN1)(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C12H14F3NO/c1-8-11(17,5-6-16-8)9-3-2-4-10(7-9)12(13,14)15/h2-4,7-8,16-17H,5-6H2,1H3
InChIKey
LOWSRUNRORMYLE-UHFFFAOYSA-N
Compound name
2-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10275 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 151.8
[M+Na]+ 268.09197 159.8
[M-H]- 244.09547 150.8
[M+NH4]+ 263.13657 170.4
[M+K]+ 284.06591 154.9
[M+H-H2O]+ 228.10001 143.7
[M+HCOO]- 290.10095 165.9
[M+CH3COO]- 304.11660 185.8
[M+Na-2H]- 266.07742 154.3
[M]+ 245.10220 143.4
[M]- 245.10330 143.4
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.