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

12
Patents

201.0572 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.064476 144.1
[M+Na]+ 224.046418 152.3
[M-H]- 200.049924 145.7
[M+NH4]+ 219.091023 162.9
[M+K]+ 240.020358 151.2
[M+H-H2O]+ 184.054460 137.4
[M+HCOO]- 246.055401 161.4
[M+CH3COO]- 260.071051 181.6
[M+Na-2H]- 222.031866 147.5
[M]+ 201.05665142 147.2
[M]- 201.05774858 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