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 129.7
[M+Na]+ 195.07804 138.3
[M-H]- 171.08154 134.4
[M+NH4]+ 190.12264 142.1
[M+K]+ 211.05198 137.8
[M+H-H2O]+ 155.08608 113.8
[M+HCOO]- 217.08702 146.6
[M+CH3COO]- 231.10267 191.4
[M+Na-2H]- 193.06349 135.2
[M]+ 172.08827 131.8
[M]- 172.08937 131.8
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.