CID 131751051

(+/-)-anisoxide

Structural Information

Molecular Formula
C14H18O
SMILES
C/C=C\C1=CC2=C(C=C1)OC(C2C)(C)C
InChI
InChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5-
InChIKey
YXEPEHFXXORWGP-WAYWQWQTSA-N
Compound name
2,2,3-trimethyl-5-[(Z)-prop-1-enyl]-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 144.4
[M+Na]+ 225.12499 154.4
[M-H]- 201.12849 150.2
[M+NH4]+ 220.16959 168.2
[M+K]+ 241.09893 151.8
[M+H-H2O]+ 185.13303 140.1
[M+HCOO]- 247.13397 166.1
[M+CH3COO]- 261.14962 187.6
[M+Na-2H]- 223.11044 149.8
[M]+ 202.13522 146.9
[M]- 202.13632 146.9
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.