CID 440113

2-(4-hydroxyphenyl)acetaldehyde

Structural Information

Molecular Formula
C8H8O2
SMILES
C1=CC(=CC=C1CC=O)O
InChI
InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
InChIKey
IPRPPFIAVHPVJH-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29
References

2522
Patents

136.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 124.2
[M+Na]+ 159.04165 132.9
[M-H]- 135.04515 127.0
[M+NH4]+ 154.08625 145.6
[M+K]+ 175.01559 130.8
[M+H-H2O]+ 119.04969 119.3
[M+HCOO]- 181.05063 148.3
[M+CH3COO]- 195.06628 169.9
[M+Na-2H]- 157.02710 131.9
[M]+ 136.05188 124.5
[M]- 136.05298 124.5
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