CID 63626727

[(2-chloro-3,4-dimethoxyphenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C10H14ClNO2
SMILES
CNCC1=C(C(=C(C=C1)OC)OC)Cl
InChI
InChI=1S/C10H14ClNO2/c1-12-6-7-4-5-8(13-2)10(14-3)9(7)11/h4-5,12H,6H2,1-3H3
InChIKey
LPBAWHXDFADMAI-UHFFFAOYSA-N
Compound name
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0713 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07858 144.2
[M+Na]+ 238.06052 153.8
[M-H]- 214.06402 148.4
[M+NH4]+ 233.10512 164.2
[M+K]+ 254.03446 150.7
[M+H-H2O]+ 198.06856 139.2
[M+HCOO]- 260.06950 165.3
[M+CH3COO]- 274.08515 190.5
[M+Na-2H]- 236.04597 149.5
[M]+ 215.07075 149.7
[M]- 215.07185 149.7
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.