CID 11971058

5-(2-methylpropoxy)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H11N3OS
SMILES
CC(C)COC1=NN=C(S1)N
InChI
InChI=1S/C6H11N3OS/c1-4(2)3-10-6-9-8-5(7)11-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKey
JKYQIRLQBKYJKB-UHFFFAOYSA-N
Compound name
5-(2-methylpropoxy)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.06229 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06957 135.0
[M+Na]+ 196.05151 143.8
[M-H]- 172.05501 136.2
[M+NH4]+ 191.09611 154.8
[M+K]+ 212.02545 142.3
[M+H-H2O]+ 156.05955 128.2
[M+HCOO]- 218.06049 153.0
[M+CH3COO]- 232.07614 179.7
[M+Na-2H]- 194.03696 136.4
[M]+ 173.06174 137.2
[M]- 173.06284 137.2
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