CID 62353188

3-(3-fluorophenyl)-3-methylpyrrolidine

Structural Information

Molecular Formula
C11H14FN
SMILES
CC1(CCNC1)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H14FN/c1-11(5-6-13-8-11)9-3-2-4-10(12)7-9/h2-4,7,13H,5-6,8H2,1H3
InChIKey
PPYDNZUIGTWREI-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-3-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11830 138.1
[M+Na]+ 202.10024 145.5
[M-H]- 178.10374 140.7
[M+NH4]+ 197.14484 159.8
[M+K]+ 218.07418 141.7
[M+H-H2O]+ 162.10828 130.9
[M+HCOO]- 224.10922 157.6
[M+CH3COO]- 238.12487 150.6
[M+Na-2H]- 200.08569 142.5
[M]+ 179.11047 132.3
[M]- 179.11157 132.3
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.