CID 14954989

5-tert-butylthiophene-2-carbaldehyde

Structural Information

Molecular Formula
C9H12OS
SMILES
CC(C)(C)C1=CC=C(S1)C=O
InChI
InChI=1S/C9H12OS/c1-9(2,3)8-5-4-7(6-10)11-8/h4-6H,1-3H3
InChIKey
GJUJYHIUGGUILF-UHFFFAOYSA-N
Compound name
5-tert-butylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

168.06088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06816 138.6
[M+Na]+ 191.05010 149.5
[M+NH4]+ 186.09470 147.7
[M+K]+ 207.02404 143.3
[M-H]- 167.05360 139.9
[M+Na-2H]- 189.03555 143.3
[M]+ 168.06033 141.0
[M]- 168.06143 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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