CID 20655905

1-(5-methyl-1,3,4-thiadiazol-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC1=NN=C(S1)C(C)N
InChI
InChI=1S/C5H9N3S/c1-3(6)5-8-7-4(2)9-5/h3H,6H2,1-2H3
InChIKey
LLJVSWLXTLQUJE-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

143.05171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 127.3
[M+Na]+ 166.04093 136.8
[M-H]- 142.04443 128.8
[M+NH4]+ 161.08553 148.5
[M+K]+ 182.01487 135.1
[M+H-H2O]+ 126.04897 120.9
[M+HCOO]- 188.04991 145.5
[M+CH3COO]- 202.06556 174.7
[M+Na-2H]- 164.02638 129.1
[M]+ 143.05116 127.9
[M]- 143.05226 127.9
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