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]+ 197.07431 139.5
[M+Na]+ 219.05625 144.1
[M-H]- 195.05975 143.4
[M+NH4]+ 214.10085 152.1
[M+K]+ 235.03019 144.2
[M+H-H2O]+ 179.06429 127.1
[M+HCOO]- 241.06523 155.2
[M+CH3COO]- 255.08088 184.0
[M+Na-2H]- 217.04170 139.6
[M]+ 196.06648 146.3
[M]- 196.06758 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.