CID 117272276

5-(4-fluorophenyl)-2,2-dimethylpyrrolidine

Structural Information

Molecular Formula
C12H16FN
SMILES
CC1(CCC(N1)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C12H16FN/c1-12(2)8-7-11(14-12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKey
VFCNABBVOVXRFW-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2,2-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.12668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 142.0
[M+Na]+ 216.115898 149.9
[M-H]- 192.119404 144.9
[M+NH4]+ 211.160503 163.4
[M+K]+ 232.089838 145.8
[M+H-H2O]+ 176.123940 135.0
[M+HCOO]- 238.124881 161.2
[M+CH3COO]- 252.140531 181.1
[M+Na-2H]- 214.101346 145.2
[M]+ 193.12613142 136.9
[M]- 193.12722858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe