CID 181252

59962-54-8

Structural Information

Molecular Formula
C9H16N4O2S
SMILES
CC(C)(C)C1=NN=C(S1)N(C)C(=O)NCO
InChI
InChI=1S/C9H16N4O2S/c1-9(2,3)6-11-12-8(16-6)13(4)7(15)10-5-14/h14H,5H2,1-4H3,(H,10,15)
InChIKey
YDWOTDZRDFOARW-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

244.0994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10668 156.1
[M+Na]+ 267.08862 162.8
[M+NH4]+ 262.13322 161.6
[M+K]+ 283.06256 160.3
[M-H]- 243.09212 155.2
[M+Na-2H]- 265.07407 158.6
[M]+ 244.09885 156.8
[M]- 244.09995 156.8
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.