CID 3159601

5-propylthiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H10OS
SMILES
CCCC1=CC=C(S1)C=O
InChI
InChI=1S/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
InChIKey
LWPDFFNCKYNEOT-UHFFFAOYSA-N
Compound name
5-propylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

154.04524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 130.8
[M+Na]+ 177.034458 140.3
[M-H]- 153.037964 135.2
[M+NH4]+ 172.079063 154.7
[M+K]+ 193.008398 138.0
[M+H-H2O]+ 137.042500 126.0
[M+HCOO]- 199.043441 151.6
[M+CH3COO]- 213.059091 174.6
[M+Na-2H]- 175.019906 133.0
[M]+ 154.04469142 134.5
[M]- 154.04578858 134.5
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