CID 70036

Benzyl p-tolyl ether

Structural Information

Molecular Formula
C14H14O
SMILES
CC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
CHBXCQHBCCLICW-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2170
Patents

198.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 142.7
[M+Na]+ 221.09368 150.3
[M-H]- 197.09718 149.4
[M+NH4]+ 216.13828 161.9
[M+K]+ 237.06762 147.0
[M+H-H2O]+ 181.10172 135.6
[M+HCOO]- 243.10266 167.4
[M+CH3COO]- 257.11831 185.3
[M+Na-2H]- 219.07913 150.2
[M]+ 198.10391 143.6
[M]- 198.10501 143.6
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