CID 26192050

(3r)-3-(3-chlorophenoxy)pyrrolidine

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1CNC[C@@H]1OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H12ClNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1
InChIKey
NDJXJUSKVNUOOH-SNVBAGLBSA-N
Compound name
(3R)-3-(3-chlorophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

197.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 141.6
[M+Na]+ 220.04997 149.1
[M-H]- 196.05347 145.1
[M+NH4]+ 215.09457 161.3
[M+K]+ 236.02391 144.3
[M+H-H2O]+ 180.05801 135.2
[M+HCOO]- 242.05895 157.9
[M+CH3COO]- 256.07460 154.0
[M+Na-2H]- 218.03542 145.4
[M]+ 197.06020 139.5
[M]- 197.06130 139.5
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