CID 55269312

2-(4-chlorophenyl)-2-cyclopropylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14ClN
SMILES
C1CC1C(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClN/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11H,1-2,7,13H2
InChIKey
FFHOVLBOLZUYQE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-cyclopropylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08148 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.088756 136.4
[M+Na]+ 218.070698 145.2
[M-H]- 194.074204 143.1
[M+NH4]+ 213.115303 151.4
[M+K]+ 234.044638 140.3
[M+H-H2O]+ 178.078740 130.6
[M+HCOO]- 240.079681 156.0
[M+CH3COO]- 254.095331 188.9
[M+Na-2H]- 216.056146 141.4
[M]+ 195.08093142 138.2
[M]- 195.08202858 138.2
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

No patent data available for this compound.