CID 47003314

1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
COC1=C(C=C(C=C1)Cl)N2CCC(C2)N
InChI
InChI=1S/C11H15ClN2O/c1-15-11-3-2-8(12)6-10(11)14-5-4-9(13)7-14/h2-3,6,9H,4-5,7,13H2,1H3
InChIKey
SCFKNHKMXXEBQR-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

226.0873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 150.2
[M+Na]+ 249.07652 158.7
[M-H]- 225.08002 155.1
[M+NH4]+ 244.12112 169.5
[M+K]+ 265.05046 154.1
[M+H-H2O]+ 209.08456 143.6
[M+HCOO]- 271.08550 168.1
[M+CH3COO]- 285.10115 189.6
[M+Na-2H]- 247.06197 152.0
[M]+ 226.08675 149.5
[M]- 226.08785 149.5
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