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 157.6
[M+Na]+ 288.15702 162.7
[M-H]- 264.16052 163.1
[M+NH4]+ 283.20162 174.5
[M+K]+ 304.13096 165.8
[M+H-H2O]+ 248.16506 152.2
[M+HCOO]- 310.16600 178.1
[M+CH3COO]- 324.18165 203.7
[M+Na-2H]- 286.14247 161.3
[M]+ 265.16725 157.5
[M]- 265.16835 157.5
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.