CID 3042550

59921-95-8

Structural Information

Molecular Formula
C14H20FNO
SMILES
C1CCN(C1)CCCC(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C14H20FNO/c15-13-7-5-12(6-8-13)14(17)4-3-11-16-9-1-2-10-16/h5-8,14,17H,1-4,9-11H2
InChIKey
VLIQJTJRKMNILS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-pyrrolidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1529 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16018 155.8
[M+Na]+ 260.14212 160.5
[M-H]- 236.14562 157.6
[M+NH4]+ 255.18672 172.9
[M+K]+ 276.11606 156.7
[M+H-H2O]+ 220.15016 147.3
[M+HCOO]- 282.15110 173.5
[M+CH3COO]- 296.16675 189.3
[M+Na-2H]- 258.12757 156.3
[M]+ 237.15235 151.5
[M]- 237.15345 151.5
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.