CID 108989

60656-87-3

Structural Information

Molecular Formula
C9H10O2
SMILES
C1=CC=C(C=C1)COCC=O
InChI
InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKey
NFNOAHXEQXMCGT-UHFFFAOYSA-N
Compound name
2-phenylmethoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

2627
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 128.8
[M+Na]+ 173.05730 136.5
[M-H]- 149.06080 132.4
[M+NH4]+ 168.10190 150.0
[M+K]+ 189.03124 135.1
[M+H-H2O]+ 133.06534 123.1
[M+HCOO]- 195.06628 154.1
[M+CH3COO]- 209.08193 174.5
[M+Na-2H]- 171.04275 137.2
[M]+ 150.06753 131.0
[M]- 150.06863 131.0
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