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

6
Patents

226.0873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.094576 150.2
[M+Na]+ 249.076518 158.7
[M-H]- 225.080024 155.1
[M+NH4]+ 244.121123 169.5
[M+K]+ 265.050458 154.1
[M+H-H2O]+ 209.084560 143.6
[M+HCOO]- 271.085501 168.1
[M+CH3COO]- 285.101151 189.6
[M+Na-2H]- 247.061966 152.0
[M]+ 226.08675142 149.5
[M]- 226.08784858 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