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
3
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]+ 215.09612 148.5
[M+Na]+ 237.07806 156.4
[M-H]- 213.08156 151.2
[M+NH4]+ 232.12266 167.0
[M+K]+ 253.05200 155.5
[M+H-H2O]+ 197.08610 141.4
[M+HCOO]- 259.08704 165.9
[M+CH3COO]- 273.10269 192.2
[M+Na-2H]- 235.06351 149.7
[M]+ 214.08829 150.5
[M]- 214.08939 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