CID 39803

Brn 2738780

Structural Information

Molecular Formula
C14H21NO3
SMILES
CNC1CCCC2=CC(=C(C(=C2C1)O)OC)OC
InChI
InChI=1S/C14H21NO3/c1-15-10-6-4-5-9-7-12(17-2)14(18-3)13(16)11(9)8-10/h7,10,15-16H,4-6,8H2,1-3H3
InChIKey
GEGALNXYLADKIP-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6-(methylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 153.7
[M+Na]+ 274.14137 158.8
[M-H]- 250.14487 158.2
[M+NH4]+ 269.18597 170.6
[M+K]+ 290.11531 161.5
[M+H-H2O]+ 234.14941 148.7
[M+HCOO]- 296.15035 173.1
[M+CH3COO]- 310.16600 198.6
[M+Na-2H]- 272.12682 157.5
[M]+ 251.15160 151.5
[M]- 251.15270 151.5
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.