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]+ 170.06342 135.2
[M+Na]+ 192.04536 143.8
[M-H]- 168.04886 140.9
[M+NH4]+ 187.08996 158.7
[M+K]+ 208.01930 142.6
[M+H-H2O]+ 152.05340 129.5
[M+HCOO]- 214.05434 157.3
[M+CH3COO]- 228.06999 182.8
[M+Na-2H]- 190.03081 137.1
[M]+ 169.05559 139.3
[M]- 169.05669 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