CID 10419351

3-(2-hydroxyphenyl)propanal

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
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 128.9
[M+Na]+ 173.05730 137.1
[M-H]- 149.06080 131.5
[M+NH4]+ 168.10190 149.7
[M+K]+ 189.03124 134.8
[M+H-H2O]+ 133.06534 123.7
[M+HCOO]- 195.06628 152.7
[M+CH3COO]- 209.08193 172.9
[M+Na-2H]- 171.04275 136.1
[M]+ 150.06753 129.5
[M]- 150.06863 129.5
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