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

507
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.2
[M+Na]+ 173.05730 137.4
[M-H]- 149.06080 130.7
[M+NH4]+ 168.10190 148.7
[M+K]+ 189.03124 135.2
[M+H-H2O]+ 133.06534 122.7
[M+HCOO]- 195.06628 151.1
[M+CH3COO]- 209.08193 175.3
[M+Na-2H]- 171.04275 133.1
[M]+ 150.06753 128.7
[M]- 150.06863 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