CID 162493

(2-phenylethoxy)acetaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
C1=CC=C(C=C1)CCOCC=O
InChI
InChI=1S/C10H12O2/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,7H,6,8-9H2
InChIKey
IPTBGLHPPBSVHE-UHFFFAOYSA-N
Compound name
2-(2-phenylethoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

251
Patents

164.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.5
[M+Na]+ 187.07294 140.8
[M-H]- 163.07644 137.0
[M+NH4]+ 182.11754 154.1
[M+K]+ 203.04688 139.2
[M+H-H2O]+ 147.08098 127.6
[M+HCOO]- 209.08192 158.5
[M+CH3COO]- 223.09757 177.6
[M+Na-2H]- 185.05839 141.3
[M]+ 164.08317 136.0
[M]- 164.08427 136.0
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