CID 23583

3,5-diethyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CCC1=CC(=CC(=C1O)CC)C(=O)O
InChI
InChI=1S/C11H14O3/c1-3-7-5-9(11(13)14)6-8(4-2)10(7)12/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKey
XBPUEQBTSNGZMZ-UHFFFAOYSA-N
Compound name
3,5-diethyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

194.0943 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe