CID 1622592

5-butyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H11N3S
SMILES
CCCCC1=NN=C(S1)N
InChI
InChI=1S/C6H11N3S/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3,(H2,7,9)
InChIKey
ZVMPWERUANCLFH-UHFFFAOYSA-N
Compound name
5-butyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

157.06737 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 131.0
[M+Na]+ 180.05659 140.3
[M-H]- 156.06009 132.1
[M+NH4]+ 175.10119 151.6
[M+K]+ 196.03053 137.9
[M+H-H2O]+ 140.06463 124.2
[M+HCOO]- 202.06557 149.8
[M+CH3COO]- 216.08122 176.8
[M+Na-2H]- 178.04204 133.4
[M]+ 157.06682 132.4
[M]- 157.06792 132.4
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