CID 30617

N-[(thiophen-2-yl)methyl]acetamide

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

163
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 131.9
[M+Na]+ 178.02970 139.6
[M-H]- 154.03320 136.0
[M+NH4]+ 173.07430 154.9
[M+K]+ 194.00364 137.8
[M+H-H2O]+ 138.03774 126.4
[M+HCOO]- 200.03868 152.8
[M+CH3COO]- 214.05433 175.3
[M+Na-2H]- 176.01515 134.5
[M]+ 155.03993 133.3
[M]- 155.04103 133.3
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