CID 94557666

Rac-[(1r,2r)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine hydrochloride

Structural Information

Molecular Formula
C10H11Cl2N
SMILES
C1[C@H]([C@@H]1C2=C(C=C(C=C2)Cl)Cl)CN
InChI
InChI=1S/C10H11Cl2N/c11-7-1-2-8(10(12)4-7)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m0/s1
InChIKey
QQFQGKPYXWBPBJ-IMTBSYHQSA-N
Compound name
[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.02686 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.034136 137.4
[M+Na]+ 238.016078 148.6
[M-H]- 214.019584 143.8
[M+NH4]+ 233.060683 152.5
[M+K]+ 253.990018 142.2
[M+H-H2O]+ 198.024120 132.7
[M+HCOO]- 260.025061 153.0
[M+CH3COO]- 274.040711 191.8
[M+Na-2H]- 236.001526 141.8
[M]+ 215.02631142 141.0
[M]- 215.02740858 141.0
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.