CID 121552567

1-(cyclopentyloxy)-4-ethynylbenzene

Structural Information

Molecular Formula
C13H14O
SMILES
C#CC1=CC=C(C=C1)OC2CCCC2
InChI
InChI=1S/C13H14O/c1-2-11-7-9-13(10-8-11)14-12-5-3-4-6-12/h1,7-10,12H,3-6H2
InChIKey
PHIQMKNKDWSPLC-UHFFFAOYSA-N
Compound name
1-cyclopentyloxy-4-ethynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.10446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 143.6
[M+Na]+ 209.09368 153.1
[M-H]- 185.09718 147.8
[M+NH4]+ 204.13828 162.5
[M+K]+ 225.06762 147.0
[M+H-H2O]+ 169.10172 131.2
[M+HCOO]- 231.10266 160.8
[M+CH3COO]- 245.11831 189.3
[M+Na-2H]- 207.07913 146.1
[M]+ 186.10391 136.2
[M]- 186.10501 136.2
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

patents stripe