CID 12289911

59939-74-1

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CN(CCN1)C(=O)C2=CSC=C2
InChI
InChI=1S/C9H12N2OS/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h1,6-7,10H,2-5H2
InChIKey
GOTAZYHBTVLKFD-UHFFFAOYSA-N
Compound name
piperazin-1-yl(thiophen-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.06703 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 142.6
[M+Na]+ 219.056248 148.5
[M-H]- 195.059754 144.8
[M+NH4]+ 214.100853 160.5
[M+K]+ 235.030188 145.4
[M+H-H2O]+ 179.064290 135.4
[M+HCOO]- 241.065231 155.5
[M+CH3COO]- 255.080881 153.8
[M+Na-2H]- 217.041696 142.8
[M]+ 196.06648142 138.1
[M]- 196.06757858 138.1
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