CID 117800609

(1s,2s)-2-(2,4-dichlorophenyl)cyclobutanamine

Structural Information

Molecular Formula
C10H11Cl2N
SMILES
C1C[C@@H]([C@@H]1C2=C(C=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C10H11Cl2N/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8,10H,3-4,13H2/t8-,10-/m0/s1
InChIKey
PKKRUNOAYAXDSP-WPRPVWTQSA-N
Compound name
cis-(1S,2S)-2-(2,4-dichlorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

215.02686 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.034136 137.8
[M+Na]+ 238.016078 146.8
[M-H]- 214.019584 143.2
[M+NH4]+ 233.060683 151.5
[M+K]+ 253.990018 143.7
[M+H-H2O]+ 198.024120 128.6
[M+HCOO]- 260.025061 151.4
[M+CH3COO]- 274.040711 191.6
[M+Na-2H]- 236.001526 141.5
[M]+ 215.02631142 146.3
[M]- 215.02740858 146.3
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