CID 63626727

2703779-79-5

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 143.6
[M+Na]+ 238.06052 157.2
[M+NH4]+ 233.10512 152.3
[M+K]+ 254.03446 150.0
[M-H]- 214.06402 146.4
[M+Na-2H]- 236.04597 150.5
[M]+ 215.07075 146.7
[M]- 215.07185 146.7
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.