CID 147151

27115-74-8

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC(C)C1=NN=C(S1)N
InChI
InChI=1S/C5H9N3S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3,(H2,6,8)
InChIKey
IGBPZWZBEPBBTR-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

143.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.058986 127.3
[M+Na]+ 166.040928 136.8
[M-H]- 142.044434 128.8
[M+NH4]+ 161.085533 148.5
[M+K]+ 182.014868 135.1
[M+H-H2O]+ 126.048970 120.9
[M+HCOO]- 188.049911 145.5
[M+CH3COO]- 202.065561 174.7
[M+Na-2H]- 164.026376 129.1
[M]+ 143.05116142 127.9
[M]- 143.05225858 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

literature stripe

Patent stripe

patents stripe