CID 39236196

Rac-(1r,2s)-2-(2-chlorophenyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1[C@H]([C@@H]1N)C2=CC=CC=C2Cl
InChI
InChI=1S/C9H10ClN/c10-8-4-2-1-3-6(8)7-5-9(7)11/h1-4,7,9H,5,11H2/t7-,9+/m0/s1
InChIKey
RTSGJRWDGWWLFL-IONNQARKSA-N
Compound name
trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.05017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.057446 128.3
[M+Na]+ 190.039388 139.1
[M-H]- 166.042894 135.6
[M+NH4]+ 185.083993 144.7
[M+K]+ 206.013328 134.2
[M+H-H2O]+ 150.047430 122.9
[M+HCOO]- 212.048371 149.3
[M+CH3COO]- 226.064021 183.4
[M+Na-2H]- 188.024836 134.7
[M]+ 167.04962142 130.3
[M]- 167.05071858 130.3
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