CID 39518

(4,7-dimethoxy-2,3-dimethyl-6-benzofuranyl)trihydroammonium chloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC1=C(OC2=C(C(=CC(=C12)OC)N)OC)C
InChI
InChI=1S/C12H15NO3/c1-6-7(2)16-12-10(6)9(14-3)5-8(13)11(12)15-4/h5H,13H2,1-4H3
InChIKey
HSHAXLYEAOTKRB-UHFFFAOYSA-N
Compound name
4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 146.2
[M+Na]+ 244.09442 159.8
[M+NH4]+ 239.13902 154.6
[M+K]+ 260.06836 156.1
[M-H]- 220.09792 150.2
[M+Na-2H]- 242.07987 151.0
[M]+ 221.10465 149.3
[M]- 221.10575 149.3
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.