CID 34288

3-(dimethylamino)benzaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
CN(C)C1=CC=CC(=C1)C=O
InChI
InChI=1S/C9H11NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-7H,1-2H3
InChIKey
WUJQTKBVPNTQLU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

596
Patents

149.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.1
[M+Na]+ 172.07328 137.0
[M-H]- 148.07678 134.5
[M+NH4]+ 167.11788 151.0
[M+K]+ 188.04722 136.5
[M+H-H2O]+ 132.08132 123.2
[M+HCOO]- 194.08226 155.7
[M+CH3COO]- 208.09791 181.9
[M+Na-2H]- 170.05873 136.3
[M]+ 149.08351 130.7
[M]- 149.08461 130.7
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