CID 63034203

1-ethynyl-3-(methoxymethyl)benzene

Structural Information

Molecular Formula
C10H10O
SMILES
COCC1=CC(=CC=C1)C#C
InChI
InChI=1S/C10H10O/c1-3-9-5-4-6-10(7-9)8-11-2/h1,4-7H,8H2,2H3
InChIKey
GLEKHLWDIYVFMX-UHFFFAOYSA-N
Compound name
1-ethynyl-3-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07317 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 129.6
[M+Na]+ 169.06239 140.4
[M-H]- 145.06589 132.1
[M+NH4]+ 164.10699 149.0
[M+K]+ 185.03633 136.6
[M+H-H2O]+ 129.07043 118.4
[M+HCOO]- 191.07137 148.4
[M+CH3COO]- 205.08702 184.6
[M+Na-2H]- 167.04784 135.8
[M]+ 146.07262 125.6
[M]- 146.07372 125.6
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.