CID 102849

Ethyl phenethyl acetal

Structural Information

Molecular Formula
C12H18O2
SMILES
CCOC(C)OCCC1=CC=CC=C1
InChI
InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey
QQDGMPOYFGNLMT-UHFFFAOYSA-N
Compound name
2-(1-ethoxyethoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1587
Patents

194.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.9
[M+Na]+ 217.11990 150.7
[M-H]- 193.12340 148.0
[M+NH4]+ 212.16450 164.3
[M+K]+ 233.09384 149.6
[M+H-H2O]+ 177.12794 138.5
[M+HCOO]- 239.12888 167.9
[M+CH3COO]- 253.14453 185.3
[M+Na-2H]- 215.10535 150.2
[M]+ 194.13013 148.1
[M]- 194.13123 148.1
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