CID 108443

60335-71-9

Structural Information

Molecular Formula
C12H14O
SMILES
CC1=CCOC(C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKey
SWOPLXXJAVYFPY-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

640
Patents

174.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 136.4
[M+Na]+ 197.09368 142.9
[M-H]- 173.09718 143.5
[M+NH4]+ 192.13828 155.2
[M+K]+ 213.06762 141.6
[M+H-H2O]+ 157.10172 129.8
[M+HCOO]- 219.10266 158.0
[M+CH3COO]- 233.11831 179.8
[M+Na-2H]- 195.07913 143.9
[M]+ 174.10391 134.4
[M]- 174.10501 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe