CID 16213796

1-ethynyl-4-methoxy-2-methylbenzene

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=C(C=CC(=C1)OC)C#C
InChI
InChI=1S/C10H10O/c1-4-9-5-6-10(11-3)7-8(9)2/h1,5-7H,2-3H3
InChIKey
IETBNYUYILAKFK-UHFFFAOYSA-N
Compound name
1-ethynyl-4-methoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

146.07317 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 128.4
[M+Na]+ 169.06239 142.2
[M+NH4]+ 164.10699 134.2
[M+K]+ 185.03633 132.3
[M-H]- 145.06589 123.2
[M+Na-2H]- 167.04784 133.2
[M]+ 146.07262 128.2
[M]- 146.07372 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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