CID 82406951

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

Structural Information

Molecular Formula
C8H13N3S
SMILES
CN1C=C(C=N1)C2CSCCN2
InChI
InChI=1S/C8H13N3S/c1-11-5-7(4-10-11)8-6-12-3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKey
IUFIIULJYKCGLR-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.08302 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.090296 138.9
[M+Na]+ 206.072238 146.5
[M-H]- 182.075744 140.1
[M+NH4]+ 201.116843 156.5
[M+K]+ 222.046178 143.0
[M+H-H2O]+ 166.080280 131.3
[M+HCOO]- 228.081221 151.5
[M+CH3COO]- 242.096871 150.4
[M+Na-2H]- 204.057686 139.8
[M]+ 183.08247142 135.0
[M]- 183.08356858 135.0
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