CID 12644575

7721-61-1

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=CC(=C(C=C1C=O)O)OC
InChI
InChI=1S/C9H10O3/c1-6-3-9(12-2)8(11)4-7(6)5-10/h3-5,11H,1-2H3
InChIKey
WDPJCNNIVOVKPZ-UHFFFAOYSA-N
Compound name
5-hydroxy-4-methoxy-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

166.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 130.5
[M+Na]+ 189.05221 140.5
[M-H]- 165.05571 133.9
[M+NH4]+ 184.09681 151.2
[M+K]+ 205.02615 138.8
[M+H-H2O]+ 149.06025 125.6
[M+HCOO]- 211.06119 154.5
[M+CH3COO]- 225.07684 177.4
[M+Na-2H]- 187.03766 136.3
[M]+ 166.06244 133.4
[M]- 166.06354 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe