CID 44548

2-(5-methyl-1,3,4-thiadiazol-2-ylamino)ethanol hydrochloride

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CC1=NN=C(S1)NCCO
InChI
InChI=1S/C5H9N3OS/c1-4-7-8-5(10-4)6-2-3-9/h9H,2-3H2,1H3,(H,6,8)
InChIKey
ZGZVIJWTAPFZFS-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.04663 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 129.9
[M+Na]+ 182.035848 139.1
[M-H]- 158.039354 130.3
[M+NH4]+ 177.080453 149.9
[M+K]+ 198.009788 136.7
[M+H-H2O]+ 142.043890 123.4
[M+HCOO]- 204.044831 148.4
[M+CH3COO]- 218.060481 173.9
[M+Na-2H]- 180.021296 133.5
[M]+ 159.04608142 131.5
[M]- 159.04717858 131.5
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