CID 20115106

2-[(3-fluorophenyl)methyl]pyrrolidine

Structural Information

Molecular Formula
C11H14FN
SMILES
C1CC(NC1)CC2=CC(=CC=C2)F
InChI
InChI=1S/C11H14FN/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h1,3-4,7,11,13H,2,5-6,8H2
InChIKey
MRXGOHHNQHZIDP-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.11102 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11830 138.3
[M+Na]+ 202.10024 144.7
[M-H]- 178.10374 140.5
[M+NH4]+ 197.14484 157.9
[M+K]+ 218.07418 140.7
[M+H-H2O]+ 162.10828 130.5
[M+HCOO]- 224.10922 157.8
[M+CH3COO]- 238.12487 177.5
[M+Na-2H]- 200.08569 141.6
[M]+ 179.11047 132.2
[M]- 179.11157 132.2
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