CID 22131094

5-(cyclopropylmethyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C9H10OS
SMILES
C1CC1CC2=CC=C(S2)C=O
InChI
InChI=1S/C9H10OS/c10-6-9-4-3-8(11-9)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKey
JZKGJVJHGODMNL-UHFFFAOYSA-N
Compound name
5-(cyclopropylmethyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

166.04524 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05252 137.4
[M+Na]+ 189.03446 150.3
[M+NH4]+ 184.07906 147.6
[M+K]+ 205.00840 144.5
[M-H]- 165.03796 147.4
[M+Na-2H]- 187.01991 145.9
[M]+ 166.04469 143.6
[M]- 166.04579 143.6
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