CID 200415

2034-61-9

Structural Information

Molecular Formula
C10H12O4
SMILES
CC(C(=O)C1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C10H12O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,11-12H,1-2H3
InChIKey
XADGCRVOLDLTQY-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.9
[M+Na]+ 219.06278 151.8
[M+NH4]+ 214.10738 147.4
[M+K]+ 235.03672 148.2
[M-H]- 195.06628 140.6
[M+Na-2H]- 217.04823 145.1
[M]+ 196.07301 142.1
[M]- 196.07411 142.1
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