CID 79782

5703-26-4

Structural Information

Molecular Formula
C9H10O2
SMILES
COC1=CC=C(C=C1)CC=O
InChI
InChI=1S/C9H10O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,7H,6H2,1H3
InChIKey
NRIVMXXOUOBRAG-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4147
Patents

150.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.1
[M+Na]+ 173.05730 136.7
[M-H]- 149.06080 132.1
[M+NH4]+ 168.10190 149.6
[M+K]+ 189.03124 135.4
[M+H-H2O]+ 133.06534 122.7
[M+HCOO]- 195.06628 153.4
[M+CH3COO]- 209.08193 175.6
[M+Na-2H]- 171.04275 135.8
[M]+ 150.06753 130.6
[M]- 150.06863 130.6
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