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 146.4
[M+Na]+ 244.09442 158.6
[M-H]- 220.09792 153.0
[M+NH4]+ 239.13902 167.3
[M+K]+ 260.06836 157.3
[M+H-H2O]+ 204.10246 141.3
[M+HCOO]- 266.10340 172.1
[M+CH3COO]- 280.11905 193.8
[M+Na-2H]- 242.07987 151.5
[M]+ 221.10465 153.6
[M]- 221.10575 153.6
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.