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
trans-(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]+ 198.068026 136.2
[M+Na]+ 220.049968 147.4
[M-H]- 196.053474 143.7
[M+NH4]+ 215.094573 151.7
[M+K]+ 236.023908 142.5
[M+H-H2O]+ 180.058010 130.8
[M+HCOO]- 242.058951 157.0
[M+CH3COO]- 256.074601 189.3
[M+Na-2H]- 218.035416 141.3
[M]+ 197.06020142 140.3
[M]- 197.06129858 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.