CID 14694998

4-hydroxy-2,3-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1=C(C=CC(=C1C)O)C=O
InChI
InChI=1S/C9H10O2/c1-6-7(2)9(11)4-3-8(6)5-10/h3-5,11H,1-2H3
InChIKey
GEVILTWPAPSGDK-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

731
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 127.2
[M+Na]+ 173.057298 137.4
[M-H]- 149.060804 130.7
[M+NH4]+ 168.101903 148.7
[M+K]+ 189.031238 135.2
[M+H-H2O]+ 133.065340 122.7
[M+HCOO]- 195.066281 151.1
[M+CH3COO]- 209.081931 175.3
[M+Na-2H]- 171.042746 133.1
[M]+ 150.06753142 128.7
[M]- 150.06862858 128.7
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