CID 3157939

5-(dimethylamino)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C7H9NOS
SMILES
CN(C)C1=CC=C(S1)C=O
InChI
InChI=1S/C7H9NOS/c1-8(2)7-4-3-6(5-9)10-7/h3-5H,1-2H3
InChIKey
RRQFJMCAGDOEPI-UHFFFAOYSA-N
Compound name
5-(dimethylamino)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

155.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 130.6
[M+Na]+ 178.02970 139.6
[M-H]- 154.03320 136.5
[M+NH4]+ 173.07430 154.6
[M+K]+ 194.00364 138.7
[M+H-H2O]+ 138.03774 125.2
[M+HCOO]- 200.03868 153.0
[M+CH3COO]- 214.05433 179.8
[M+Na-2H]- 176.01515 133.0
[M]+ 155.03993 134.4
[M]- 155.04103 134.4
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