CID 34225

3,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H10O
SMILES
CC1=CC(=CC(=C1)C=O)C
InChI
InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
InChIKey
NBEFMISJJNGCIZ-UHFFFAOYSA-N
Compound name
3,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2031
Patents

134.07317 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 125.6
[M+Na]+ 157.06239 140.0
[M+NH4]+ 152.10699 135.1
[M+K]+ 173.03633 132.8
[M-H]- 133.06589 128.5
[M+Na-2H]- 155.04784 133.6
[M]+ 134.07262 128.6
[M]- 134.07372 128.6
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