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]+ 167.052516 129.1
[M+Na]+ 189.034458 139.8
[M-H]- 165.037964 137.2
[M+NH4]+ 184.079063 147.4
[M+K]+ 205.008398 136.5
[M+H-H2O]+ 149.042500 123.4
[M+HCOO]- 211.043441 150.0
[M+CH3COO]- 225.059091 179.7
[M+Na-2H]- 187.019906 131.8
[M]+ 166.04469142 134.1
[M]- 166.04578858 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