CID 12827290

4-hydroxy-2,5-dimethyl-benzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1=CC(=C(C=C1O)C)C=O
InChI
InChI=1S/C9H10O2/c1-6-4-9(11)7(2)3-8(6)5-10/h3-5,11H,1-2H3
InChIKey
XLIMLVMYIYSMIQ-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

467
Patents

150.06808 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe