CID 56941102

958888-27-2

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(C)C1=C(C=C(C(=C1)C=O)O)O
InChI
InChI=1S/C10H12O3/c1-6(2)8-3-7(5-11)9(12)4-10(8)13/h3-6,12-13H,1-2H3
InChIKey
BYGBGNAPGTYELT-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-5-propan-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

180.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.2
[M+Na]+ 203.06786 145.0
[M-H]- 179.07136 138.0
[M+NH4]+ 198.11246 155.5
[M+K]+ 219.04180 142.7
[M+H-H2O]+ 163.07590 131.4
[M+HCOO]- 225.07684 157.3
[M+CH3COO]- 239.09249 178.8
[M+Na-2H]- 201.05331 139.6
[M]+ 180.07809 136.9
[M]- 180.07919 136.9
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