CID 121777

30310-41-9

Structural Information

Molecular Formula
C13H16O
SMILES
CC1CC(=C)CC(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3
InChIKey
GXXCNAPXUOUUFX-UHFFFAOYSA-N
Compound name
2-methyl-4-methylidene-6-phenyloxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

279
Patents

188.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 142.2
[M+Na]+ 211.10934 156.4
[M+NH4]+ 206.15394 152.0
[M+K]+ 227.08328 148.6
[M-H]- 187.11284 148.6
[M+Na-2H]- 209.09479 150.2
[M]+ 188.11957 146.2
[M]- 188.12067 146.2
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