CID 404516

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

Structural Information

Molecular Formula
C5H9N3OS
SMILES
COCCC1=NN=C(S1)N
InChI
InChI=1S/C5H9N3OS/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8)
InChIKey
CCEZJGBFVDHAJF-UHFFFAOYSA-N
Compound name
5-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

159.04663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 129.7
[M+Na]+ 182.03585 139.4
[M-H]- 158.03935 131.0
[M+NH4]+ 177.08045 150.2
[M+K]+ 198.00979 137.6
[M+H-H2O]+ 142.04389 123.0
[M+HCOO]- 204.04483 149.2
[M+CH3COO]- 218.06048 175.8
[M+Na-2H]- 180.02130 132.7
[M]+ 159.04608 132.2
[M]- 159.04718 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe