CID 4133017

618069-86-6

Structural Information

Molecular Formula
C15H21NO4
SMILES
COC1=C(C(=C2C(CCCC2=C1)CC(=O)N)OC)OC
InChI
InChI=1S/C15H21NO4/c1-18-11-7-9-5-4-6-10(8-12(16)17)13(9)15(20-3)14(11)19-2/h7,10H,4-6,8H2,1-3H3,(H2,16,17)
InChIKey
NDRLYNIFFGRPDD-UHFFFAOYSA-N
Compound name
2-(6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 163.3
[M+Na]+ 302.13628 169.9
[M-H]- 278.13978 167.1
[M+NH4]+ 297.18088 180.2
[M+K]+ 318.11022 168.2
[M+H-H2O]+ 262.14432 156.5
[M+HCOO]- 324.14526 183.1
[M+CH3COO]- 338.16091 205.0
[M+Na-2H]- 300.12173 165.1
[M]+ 279.14651 165.5
[M]- 279.14761 165.5
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.