CID 20098929

5-[(dimethylamino)methyl]thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H11NOS
SMILES
CN(C)CC1=CC=C(S1)C=O
InChI
InChI=1S/C8H11NOS/c1-9(2)5-7-3-4-8(6-10)11-7/h3-4,6H,5H2,1-2H3
InChIKey
XTLGJZIONFAKKA-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 135.2
[M+Na]+ 192.045358 143.8
[M-H]- 168.048864 140.9
[M+NH4]+ 187.089963 158.7
[M+K]+ 208.019298 142.6
[M+H-H2O]+ 152.053400 129.5
[M+HCOO]- 214.054341 157.3
[M+CH3COO]- 228.069991 182.8
[M+Na-2H]- 190.030806 137.1
[M]+ 169.05559142 139.3
[M]- 169.05668858 139.3
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