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

48
Patents

196.07672 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08400 142.8
[M+Na]+ 219.06594 150.8
[M-H]- 195.06944 147.4
[M+NH4]+ 214.11054 162.9
[M+K]+ 235.03988 146.0
[M+H-H2O]+ 179.07398 136.1
[M+HCOO]- 241.07492 160.8
[M+CH3COO]- 255.09057 155.5
[M+Na-2H]- 217.05139 145.7
[M]+ 196.07617 139.9
[M]- 196.07727 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