CID 45123413

1609395-22-3

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC1=NN=C(S1)CCN
InChI
InChI=1S/C5H9N3S/c1-4-7-8-5(9-4)2-3-6/h2-3,6H2,1H3
InChIKey
NMSMMEJJXLUOFU-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.05171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.058986 126.6
[M+Na]+ 166.040928 136.4
[M-H]- 142.044434 127.9
[M+NH4]+ 161.085533 147.8
[M+K]+ 182.014868 134.2
[M+H-H2O]+ 126.048970 120.1
[M+HCOO]- 188.049911 145.8
[M+CH3COO]- 202.065561 173.8
[M+Na-2H]- 164.026376 129.5
[M]+ 143.05116142 127.7
[M]- 143.05225858 127.7
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