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

8
Patents

211.07639 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.2
[M+Na]+ 234.06561 153.2
[M-H]- 210.06911 149.5
[M+NH4]+ 229.11021 165.3
[M+K]+ 250.03955 148.3
[M+H-H2O]+ 194.07365 139.5
[M+HCOO]- 256.07459 162.2
[M+CH3COO]- 270.09024 180.6
[M+Na-2H]- 232.05106 149.5
[M]+ 211.07584 144.5
[M]- 211.07694 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