CID 74268

(triethoxymethyl)benzene

Structural Information

Molecular Formula
C13H20O3
SMILES
CCOC(C1=CC=CC=C1)(OCC)OCC
InChI
InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKey
BQFPCTXLBRVFJL-UHFFFAOYSA-N
Compound name
triethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1079
Patents

224.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 152.4
[M+Na]+ 247.13047 158.5
[M-H]- 223.13397 155.6
[M+NH4]+ 242.17507 170.8
[M+K]+ 263.10441 157.6
[M+H-H2O]+ 207.13851 146.2
[M+HCOO]- 269.13945 174.8
[M+CH3COO]- 283.15510 189.8
[M+Na-2H]- 245.11592 159.2
[M]+ 224.14070 157.7
[M]- 224.14180 157.7
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

No patent data available for this compound.