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
(1S,2S)-2-(2,4-dichlorophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

215.02686 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03414 137.8
[M+Na]+ 238.01608 146.8
[M-H]- 214.01958 143.2
[M+NH4]+ 233.06068 151.5
[M+K]+ 253.99002 143.7
[M+H-H2O]+ 198.02412 128.6
[M+HCOO]- 260.02506 151.4
[M+CH3COO]- 274.04071 191.6
[M+Na-2H]- 236.00153 141.5
[M]+ 215.02631 146.3
[M]- 215.02741 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