CID 285320

5-chloro-2-(pyrrolidin-1-yl)aniline dihydrochloride

Structural Information

Molecular Formula
C10H13ClN2
SMILES
C1CCN(C1)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C10H13ClN2/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKey
MWDWRKMVOHRBHW-UHFFFAOYSA-N
Compound name
5-chloro-2-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

196.07672 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083996 142.8
[M+Na]+ 219.065938 150.8
[M-H]- 195.069444 147.4
[M+NH4]+ 214.110543 162.9
[M+K]+ 235.039878 146.0
[M+H-H2O]+ 179.073980 136.1
[M+HCOO]- 241.074921 160.8
[M+CH3COO]- 255.090571 155.5
[M+Na-2H]- 217.051386 145.7
[M]+ 196.07617142 139.9
[M]- 196.07726858 139.9
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