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 143.2
[M+Na]+ 220.08788 150.2
[M-H]- 196.09138 144.2
[M+NH4]+ 215.13248 160.2
[M+K]+ 236.06182 146.5
[M+H-H2O]+ 180.09592 135.3
[M+HCOO]- 242.09686 155.4
[M+CH3COO]- 256.11251 154.2
[M+Na-2H]- 218.07333 143.5
[M]+ 197.09811 139.6
[M]- 197.09921 139.6
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.