CID 121552526

1-cyclobutoxy-4-ethynylbenzene

Structural Information

Molecular Formula
C12H12O
SMILES
C#CC1=CC=C(C=C1)OC2CCC2
InChI
InChI=1S/C12H12O/c1-2-10-6-8-12(9-7-10)13-11-4-3-5-11/h1,6-9,11H,3-5H2
InChIKey
VTGJCMVCKAUMPS-UHFFFAOYSA-N
Compound name
1-cyclobutyloxy-4-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 135.7
[M+Na]+ 195.07804 144.8
[M+NH4]+ 190.12264 138.2
[M+K]+ 211.05198 136.6
[M-H]- 171.08154 129.5
[M+Na-2H]- 193.06349 138.9
[M]+ 172.08827 133.5
[M]- 172.08937 133.5
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.