CID 293467

Nsc160080

Structural Information

Molecular Formula
C6H8N4OS
SMILES
CC1=NN=C(S1)NC2=NCCO2
InChI
InChI=1S/C6H8N4OS/c1-4-9-10-6(12-4)8-5-7-2-3-11-5/h2-3H2,1H3,(H,7,8,10)
InChIKey
HMNYRMQALFFIGT-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04189 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04917 134.9
[M+Na]+ 207.03111 145.1
[M-H]- 183.03461 139.6
[M+NH4]+ 202.07571 153.7
[M+K]+ 223.00505 144.5
[M+H-H2O]+ 167.03915 127.7
[M+HCOO]- 229.04009 153.8
[M+CH3COO]- 243.05574 148.8
[M+Na-2H]- 205.01656 137.8
[M]+ 184.04134 137.0
[M]- 184.04244 137.0
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.