CID 14424694

5-cyclopropylthiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H8OS
SMILES
C1CC1C2=CC=C(S2)C=O
InChI
InChI=1S/C8H8OS/c9-5-7-3-4-8(10-7)6-1-2-6/h3-6H,1-2H2
InChIKey
XTNYBMGQLIRVPS-UHFFFAOYSA-N
Compound name
5-cyclopropylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

152.02959 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 124.9
[M+Na]+ 175.01881 136.0
[M-H]- 151.02231 133.3
[M+NH4]+ 170.06341 143.8
[M+K]+ 190.99275 133.0
[M+H-H2O]+ 135.02685 119.4
[M+HCOO]- 197.02779 146.2
[M+CH3COO]- 211.04344 176.8
[M+Na-2H]- 173.00426 128.1
[M]+ 152.02904 129.6
[M]- 152.03014 129.6
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