CID 86775445

3-(1-ethyl-1h-pyrazol-4-yl)thiomorpholine

Structural Information

Molecular Formula
C9H15N3S
SMILES
CCN1C=C(C=N1)C2CSCCN2
InChI
InChI=1S/C9H15N3S/c1-2-12-6-8(5-11-12)9-7-13-4-3-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKey
ZEARRMCNCQDIJR-UHFFFAOYSA-N
Compound name
3-(1-ethylpyrazol-4-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09866 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10594 143.6
[M+Na]+ 220.08788 154.4
[M+NH4]+ 215.13248 152.0
[M+K]+ 236.06182 147.9
[M-H]- 196.09138 145.5
[M+Na-2H]- 218.07333 148.8
[M]+ 197.09811 145.9
[M]- 197.09921 145.9
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.