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

0
Patents

186.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 140.1
[M+Na]+ 209.09368 148.1
[M-H]- 185.09718 147.0
[M+NH4]+ 204.13828 161.7
[M+K]+ 225.06762 145.2
[M+H-H2O]+ 169.10172 133.7
[M+HCOO]- 231.10266 165.9
[M+CH3COO]- 245.11831 182.2
[M+Na-2H]- 207.07913 145.5
[M]+ 186.10391 141.4
[M]- 186.10501 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.