CID 2463177

851208-08-7

Structural Information

Molecular Formula
C9H12N2OS
SMILES
C1CN(CCN1)C2=CC=C(S2)C=O
InChI
InChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKey
HWRCNHFGKABYGW-UHFFFAOYSA-N
Compound name
5-piperazin-1-ylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

196.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07431 141.9
[M+Na]+ 219.05625 149.0
[M-H]- 195.05975 144.4
[M+NH4]+ 214.10085 160.1
[M+K]+ 235.03019 145.3
[M+H-H2O]+ 179.06429 134.9
[M+HCOO]- 241.06523 155.8
[M+CH3COO]- 255.08088 153.6
[M+Na-2H]- 217.04170 142.5
[M]+ 196.06648 138.5
[M]- 196.06758 138.5
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