CID 28750003

(2s)-2-[(4-chlorophenoxy)methyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C1C[C@H](NC1)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClNO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m0/s1
InChIKey
PPUUPDHCDRWAEB-JTQLQIEISA-N
Compound name
(2S)-2-[(4-chlorophenoxy)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.07639 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.2
[M+Na]+ 234.065608 153.2
[M-H]- 210.069114 149.5
[M+NH4]+ 229.110213 165.3
[M+K]+ 250.039548 148.3
[M+H-H2O]+ 194.073650 139.5
[M+HCOO]- 256.074591 162.2
[M+CH3COO]- 270.090241 180.6
[M+Na-2H]- 232.051056 149.5
[M]+ 211.07584142 144.5
[M]- 211.07693858 144.5
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

patents stripe