CID 22719942

Tert-butyl n-(1,2,5-thiadiazol-3-yl)carbamate

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CC(C)(C)OC(=O)NC1=NSN=C1
InChI
InChI=1S/C7H11N3O2S/c1-7(2,3)12-6(11)9-5-4-8-13-10-5/h4H,1-3H3,(H,9,10,11)
InChIKey
UEFQUHGWYWICLL-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2,5-thiadiazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

201.0572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 144.1
[M+Na]+ 224.04642 152.3
[M-H]- 200.04992 145.7
[M+NH4]+ 219.09102 162.9
[M+K]+ 240.02036 151.2
[M+H-H2O]+ 184.05446 137.4
[M+HCOO]- 246.05540 161.4
[M+CH3COO]- 260.07105 181.6
[M+Na-2H]- 222.03187 147.5
[M]+ 201.05665 147.2
[M]- 201.05775 147.2
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