CID 39806

6-amino-2,3,4-trimethoxybenzocycloheptane hydrochloride

Structural Information

Molecular Formula
C15H23NO3
SMILES
CNC1=CC=CC2=C(C1)C(C(C(C2)OC)OC)OC
InChI
InChI=1S/C15H23NO3/c1-16-11-7-5-6-10-8-13(17-2)15(19-4)14(18-3)12(10)9-11/h5-7,13-16H,8-9H2,1-4H3
InChIKey
MESKMKTYFXLVHQ-UHFFFAOYSA-N
Compound name
2,3,4-trimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-benzo[7]annulen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 158.2
[M+Na]+ 288.15702 167.7
[M+NH4]+ 283.20162 165.5
[M+K]+ 304.13096 163.0
[M-H]- 264.16052 160.7
[M+Na-2H]- 286.14247 162.5
[M]+ 265.16725 160.2
[M]- 265.16835 160.2
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.