CID 130623779

N-[5-(azetidin-3-yl)thiophen-2-yl]acetamide hydrochloride

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC(=O)NC1=CC=C(S1)C2CNC2
InChI
InChI=1S/C9H12N2OS/c1-6(12)11-9-3-2-8(13-9)7-4-10-5-7/h2-3,7,10H,4-5H2,1H3,(H,11,12)
InChIKey
AVSMOHYDIFNXGM-UHFFFAOYSA-N
Compound name
N-[5-(azetidin-3-yl)thiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.06703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 139.5
[M+Na]+ 219.056248 144.1
[M-H]- 195.059754 143.4
[M+NH4]+ 214.100853 152.1
[M+K]+ 235.030188 144.2
[M+H-H2O]+ 179.064290 127.1
[M+HCOO]- 241.065231 155.2
[M+CH3COO]- 255.080881 184.0
[M+Na-2H]- 217.041696 139.6
[M]+ 196.06648142 146.3
[M]- 196.06757858 146.3
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

No patent data available for this compound.