CID 132282624

2165843-22-9

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1[C@@H](CN([C@H]1CO)CC2=CC=CC=C2)F
InChI
InChI=1S/C12H16FNO/c13-11-6-12(9-15)14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2/t11-,12+/m0/s1
InChIKey
OTOSXFWOPVAVJX-NWDGAFQWSA-N
Compound name
[(2R,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12888 146.0
[M+Na]+ 232.11082 152.8
[M-H]- 208.11432 148.4
[M+NH4]+ 227.15542 164.6
[M+K]+ 248.08476 149.0
[M+H-H2O]+ 192.11886 138.1
[M+HCOO]- 254.11980 165.3
[M+CH3COO]- 268.13545 183.6
[M+Na-2H]- 230.09627 148.1
[M]+ 209.12105 142.0
[M]- 209.12215 142.0
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.