CID 21783691

4-formyl-3,5-dimethylbenzonitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC(=CC(=C1C=O)C)C#N
InChI
InChI=1S/C10H9NO/c1-7-3-9(5-11)4-8(2)10(7)6-12/h3-4,6H,1-2H3
InChIKey
AMPDZSUBLMJJHS-UHFFFAOYSA-N
Compound name
4-formyl-3,5-dimethylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

159.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 132.3
[M+Na]+ 182.05764 145.7
[M+NH4]+ 177.10224 137.6
[M+K]+ 198.03158 136.0
[M-H]- 158.06114 127.5
[M+Na-2H]- 180.04309 136.9
[M]+ 159.06787 132.1
[M]- 159.06897 132.1
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