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]+ 160.05391 129.9
[M+Na]+ 182.03585 139.1
[M-H]- 158.03935 130.3
[M+NH4]+ 177.08045 149.9
[M+K]+ 198.00979 136.7
[M+H-H2O]+ 142.04389 123.4
[M+HCOO]- 204.04483 148.4
[M+CH3COO]- 218.06048 173.9
[M+Na-2H]- 180.02130 133.5
[M]+ 159.04608 131.5
[M]- 159.04718 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