CID 14471103

1-ethynyl-7-methoxynaphthalene

Structural Information

Molecular Formula
C13H10O
SMILES
COC1=CC2=C(C=CC=C2C#C)C=C1
InChI
InChI=1S/C13H10O/c1-3-10-5-4-6-11-7-8-12(14-2)9-13(10)11/h1,4-9H,2H3
InChIKey
MMSWBMVQIZQOFB-UHFFFAOYSA-N
Compound name
1-ethynyl-7-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.07317 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.080446 140.6
[M+Na]+ 205.062388 152.8
[M-H]- 181.065894 143.8
[M+NH4]+ 200.106993 159.7
[M+K]+ 221.036328 146.3
[M+H-H2O]+ 165.070430 129.1
[M+HCOO]- 227.071371 158.4
[M+CH3COO]- 241.087021 191.4
[M+Na-2H]- 203.047836 147.2
[M]+ 182.07262142 136.7
[M]- 182.07371858 136.7
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.