CID 11636829

90006-87-4

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN(C)C1=C(C=NC=C1)C=O
InChI
InChI=1S/C8H10N2O/c1-10(2)8-3-4-9-5-7(8)6-11/h3-6H,1-2H3
InChIKey
UZSVPQHBQXBRCF-UHFFFAOYSA-N
Compound name
4-(dimethylamino)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

150.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 129.1
[M+Na]+ 173.068538 137.5
[M-H]- 149.072044 133.2
[M+NH4]+ 168.113143 149.6
[M+K]+ 189.042478 137.0
[M+H-H2O]+ 133.076580 122.3
[M+HCOO]- 195.077521 154.7
[M+CH3COO]- 209.093171 181.5
[M+Na-2H]- 171.053986 136.9
[M]+ 150.07877142 130.8
[M]- 150.07986858 130.8
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