CID 181252

Unii-0d3r2lms5d

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
3
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 156.2
[M+Na]+ 267.08862 163.0
[M-H]- 243.09212 157.8
[M+NH4]+ 262.13322 173.0
[M+K]+ 283.06256 161.9
[M+H-H2O]+ 227.09666 149.1
[M+HCOO]- 289.09760 172.7
[M+CH3COO]- 303.11325 194.7
[M+Na-2H]- 265.07407 157.7
[M]+ 244.09885 159.0
[M]- 244.09995 159.0
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

No patent data available for this compound.