CID 95979

1,1-dimethoxy-3-phenylpropane

Structural Information

Molecular Formula
C11H16O2
SMILES
COC(CCC1=CC=CC=C1)OC
InChI
InChI=1S/C11H16O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey
PQAOFUQAZBGCQK-UHFFFAOYSA-N
Compound name
3,3-dimethoxypropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

180.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.8
[M+Na]+ 203.10426 152.2
[M+NH4]+ 198.14886 148.5
[M+K]+ 219.07820 145.4
[M-H]- 179.10776 142.0
[M+Na-2H]- 201.08971 146.9
[M]+ 180.11449 142.2
[M]- 180.11559 142.2
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