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]+ 183.08045 140.6
[M+Na]+ 205.06239 152.8
[M-H]- 181.06589 143.8
[M+NH4]+ 200.10699 159.7
[M+K]+ 221.03633 146.3
[M+H-H2O]+ 165.07043 129.1
[M+HCOO]- 227.07137 158.4
[M+CH3COO]- 241.08702 191.4
[M+Na-2H]- 203.04784 147.2
[M]+ 182.07262 136.7
[M]- 182.07372 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.