CID 13166819

2-hydroxy-4-methoxy-5-methylbenzaldehyde

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=CC(=C(C=C1OC)O)C=O
InChI
InChI=1S/C9H10O3/c1-6-3-7(5-10)8(11)4-9(6)12-2/h3-5,11H,1-2H3
InChIKey
JIJCMVYESVILGN-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methoxy-5-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

166.06299 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe