CID 414797

1-(chloromethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
COC1=C(C=C2C(=C1)CCN=C2CCl)OC
InChI
InChI=1S/C12H14ClNO2/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2/h5-6H,3-4,7H2,1-2H3
InChIKey
GSJCDIYPXGPPGI-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.0713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 149.7
[M+Na]+ 262.06052 159.7
[M-H]- 238.06402 152.9
[M+NH4]+ 257.10512 168.6
[M+K]+ 278.03446 155.7
[M+H-H2O]+ 222.06856 143.4
[M+HCOO]- 284.06950 166.2
[M+CH3COO]- 298.08515 192.0
[M+Na-2H]- 260.04597 156.0
[M]+ 239.07075 154.6
[M]- 239.07185 154.6
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.