CID 10899021

4-hydroxy-2,3,5-trimethylbenzaldehyde

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC(=C(C(=C1O)C)C)C=O
InChI
InChI=1S/C10H12O2/c1-6-4-9(5-11)7(2)8(3)10(6)12/h4-5,12H,1-3H3
InChIKey
LRRULYRVDZNOOF-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3,5-trimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

164.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.0
[M+Na]+ 187.07294 141.6
[M-H]- 163.07644 134.6
[M+NH4]+ 182.11754 152.2
[M+K]+ 203.04688 139.2
[M+H-H2O]+ 147.08098 126.5
[M+HCOO]- 209.08192 154.4
[M+CH3COO]- 223.09757 179.5
[M+Na-2H]- 185.05839 135.7
[M]+ 164.08317 133.2
[M]- 164.08427 133.2
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