CID 175123

(3,3-dimethoxy-2,2-dimethylpropyl)benzene

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C)(CC1=CC=CC=C1)C(OC)OC
InChI
InChI=1S/C13H20O2/c1-13(2,12(14-3)15-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKey
ONRRGZQJJNDUPR-UHFFFAOYSA-N
Compound name
(3,3-dimethoxy-2,2-dimethylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

208.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 149.1
[M+Na]+ 231.13555 155.0
[M-H]- 207.13905 152.3
[M+NH4]+ 226.18015 168.1
[M+K]+ 247.10949 154.1
[M+H-H2O]+ 191.14359 143.2
[M+HCOO]- 253.14453 170.3
[M+CH3COO]- 267.16018 188.7
[M+Na-2H]- 229.12100 154.6
[M]+ 208.14578 152.3
[M]- 208.14688 152.3
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