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 129.1
[M+Na]+ 189.03446 139.8
[M-H]- 165.03796 137.2
[M+NH4]+ 184.07906 147.4
[M+K]+ 205.00840 136.5
[M+H-H2O]+ 149.04250 123.4
[M+HCOO]- 211.04344 150.0
[M+CH3COO]- 225.05909 179.7
[M+Na-2H]- 187.01991 131.8
[M]+ 166.04469 134.1
[M]- 166.04579 134.1
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