CID 1895039

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

Structural Information

Molecular Formula
C8H15N3S
SMILES
CCCCCCC1=NN=C(S1)N
InChI
InChI=1S/C8H15N3S/c1-2-3-4-5-6-7-10-11-8(9)12-7/h2-6H2,1H3,(H2,9,11)
InChIKey
HCBLNSKOAPHNKQ-UHFFFAOYSA-N
Compound name
5-hexyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

185.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10594 139.7
[M+Na]+ 208.08788 148.1
[M-H]- 184.09138 140.4
[M+NH4]+ 203.13248 159.1
[M+K]+ 224.06182 145.2
[M+H-H2O]+ 168.09592 132.5
[M+HCOO]- 230.09686 157.9
[M+CH3COO]- 244.11251 182.9
[M+Na-2H]- 206.07333 141.1
[M]+ 185.09811 141.8
[M]- 185.09921 141.8
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