CID 43535092

(1-methyl-1h-pyrazol-4-yl)thiourea

Structural Information

Molecular Formula
C5H8N4S
SMILES
CN1C=C(C=N1)NC(=S)N
InChI
InChI=1S/C5H8N4S/c1-9-3-4(2-7-9)8-5(6)10/h2-3H,1H3,(H3,6,8,10)
InChIKey
GHLOOOBSHMJEDH-UHFFFAOYSA-N
Compound name
(1-methylpyrazol-4-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.04697 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05425 130.5
[M+Na]+ 179.03619 139.4
[M-H]- 155.03969 131.9
[M+NH4]+ 174.08079 150.6
[M+K]+ 195.01013 136.8
[M+H-H2O]+ 139.04423 123.6
[M+HCOO]- 201.04517 149.7
[M+CH3COO]- 215.06082 178.0
[M+Na-2H]- 177.02164 132.8
[M]+ 156.04642 129.4
[M]- 156.04752 129.4
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