CID 2775198

2',4'-dihydroxy-3'-propylacetophenone

Structural Information

Molecular Formula
C11H14O3
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)O
InChI
InChI=1S/C11H14O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h5-6,13-14H,3-4H2,1-2H3
InChIKey
QGGRBWUQXAFYEC-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-3-propylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
Patents

194.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.9
[M+Na]+ 217.08352 149.3
[M-H]- 193.08702 142.5
[M+NH4]+ 212.12812 159.6
[M+K]+ 233.05746 146.7
[M+H-H2O]+ 177.09156 135.9
[M+HCOO]- 239.09250 161.6
[M+CH3COO]- 253.10815 181.8
[M+Na-2H]- 215.06897 143.8
[M]+ 194.09375 141.9
[M]- 194.09485 141.9
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