CID 13363032

Unii-5c8s1i27s1

Structural Information

Molecular Formula
C8H14N4OS
SMILES
CC(C)(C)C1=NN=C(S1)N(C)C(=O)N
InChI
InChI=1S/C8H14N4OS/c1-8(2,3)5-10-11-7(14-5)12(4)6(9)13/h1-4H3,(H2,9,13)
InChIKey
UBBJYJXRQJNARS-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

214.08884 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.096116 148.5
[M+Na]+ 237.078058 156.4
[M-H]- 213.081564 151.2
[M+NH4]+ 232.122663 167.0
[M+K]+ 253.051998 155.5
[M+H-H2O]+ 197.086100 141.4
[M+HCOO]- 259.087041 165.9
[M+CH3COO]- 273.102691 192.2
[M+Na-2H]- 235.063506 149.7
[M]+ 214.08829142 150.5
[M]- 214.08938858 150.5
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