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]+ 184.09030 138.9
[M+Na]+ 206.07224 146.5
[M-H]- 182.07574 140.1
[M+NH4]+ 201.11684 156.5
[M+K]+ 222.04618 143.0
[M+H-H2O]+ 166.08028 131.3
[M+HCOO]- 228.08122 151.5
[M+CH3COO]- 242.09687 150.4
[M+Na-2H]- 204.05769 139.8
[M]+ 183.08247 135.0
[M]- 183.08357 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