CID 62353763

3-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine

Structural Information

Molecular Formula
C12H14F3N
SMILES
CC1(CCNC1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H14F3N/c1-11(6-7-16-8-11)9-2-4-10(5-3-9)12(13,14)15/h2-5,16H,6-8H2,1H3
InChIKey
JJMQOZZOHMTPEG-UHFFFAOYSA-N
Compound name
3-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 148.5
[M+Na]+ 252.09705 156.1
[M-H]- 228.10055 148.5
[M+NH4]+ 247.14165 168.2
[M+K]+ 268.07099 151.6
[M+H-H2O]+ 212.10509 139.9
[M+HCOO]- 274.10603 163.9
[M+CH3COO]- 288.12168 185.2
[M+Na-2H]- 250.08250 151.9
[M]+ 229.10728 140.1
[M]- 229.10838 140.1
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.