CID 30617

21403-24-7

Structural Information

Molecular Formula
C7H9NOS
SMILES
CC(=O)NCC1=CC=CS1
InChI
InChI=1S/C7H9NOS/c1-6(9)8-5-7-3-2-4-10-7/h2-4H,5H2,1H3,(H,8,9)
InChIKey
BQRIKSCISYLMQV-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

148
Patents

155.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 132.6
[M+Na]+ 178.02970 142.2
[M+NH4]+ 173.07430 141.6
[M+K]+ 194.00364 136.4
[M-H]- 154.03320 134.6
[M+Na-2H]- 176.01515 137.6
[M]+ 155.03993 134.7
[M]- 155.04103 134.7
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