CID 819297

2-hydroxy-3,6-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1=C(C(=C(C=C1)C)O)C=O
InChI
InChI=1S/C9H10O2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-5,11H,1-2H3
InChIKey
WTHUWXPBPNTSHJ-UHFFFAOYSA-N
Compound name
2-hydroxy-3,6-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

150.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 129.0
[M+Na]+ 173.05730 142.8
[M+NH4]+ 168.10190 137.6
[M+K]+ 189.03124 136.6
[M-H]- 149.06080 130.9
[M+Na-2H]- 171.04275 135.7
[M]+ 150.06753 131.5
[M]- 150.06863 131.5
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

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