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

74
Patents

194.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 140.9
[M+Na]+ 217.083518 149.3
[M-H]- 193.087024 142.5
[M+NH4]+ 212.128123 159.6
[M+K]+ 233.057458 146.7
[M+H-H2O]+ 177.091560 135.9
[M+HCOO]- 239.092501 161.6
[M+CH3COO]- 253.108151 181.8
[M+Na-2H]- 215.068966 143.8
[M]+ 194.09375142 141.9
[M]- 194.09484858 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