CID 17757845

1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methoxybenzene

Structural Information

Molecular Formula
C13H14O
SMILES
COC1=CC=C(C=C1)CC2=CCC=C2
InChI
InChI=1S/C13H14O/c1-14-13-8-6-12(7-9-13)10-11-4-2-3-5-11/h2,4-9H,3,10H2,1H3
InChIKey
FROYFFJWTWUGLL-UHFFFAOYSA-N
Compound name
1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

186.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 140.1
[M+Na]+ 209.093678 148.1
[M-H]- 185.097184 147.0
[M+NH4]+ 204.138283 161.7
[M+K]+ 225.067618 145.2
[M+H-H2O]+ 169.101720 133.7
[M+HCOO]- 231.102661 165.9
[M+CH3COO]- 245.118311 182.2
[M+Na-2H]- 207.079126 145.5
[M]+ 186.10391142 141.4
[M]- 186.10500858 141.4
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.