CID 138040738

Rac-(1r,2s)-2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12ClNO
SMILES
COC1=C(C(=CC=C1)Cl)[C@@H]2C[C@H]2N
InChI
InChI=1S/C10H12ClNO/c1-13-9-4-2-3-7(11)10(9)6-5-8(6)12/h2-4,6,8H,5,12H2,1H3/t6-,8-/m1/s1
InChIKey
OORPSEGWHZEIRB-HTRCEHHLSA-N
Compound name
(1R,2S)-2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 136.2
[M+Na]+ 220.04997 147.4
[M-H]- 196.05347 143.7
[M+NH4]+ 215.09457 151.7
[M+K]+ 236.02391 142.5
[M+H-H2O]+ 180.05801 130.8
[M+HCOO]- 242.05895 157.0
[M+CH3COO]- 256.07460 189.3
[M+Na-2H]- 218.03542 141.3
[M]+ 197.06020 140.3
[M]- 197.06130 140.3
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

No patent data available for this compound.