CID 1914166

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

Structural Information

Molecular Formula
C10H19N3S
SMILES
CCCCCCCCC1=NN=C(S1)N
InChI
InChI=1S/C10H19N3S/c1-2-3-4-5-6-7-8-9-12-13-10(11)14-9/h2-8H2,1H3,(H2,11,13)
InChIKey
YMIQAJNFLWQEOW-UHFFFAOYSA-N
Compound name
5-octyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

213.12997 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13725 148.3
[M+Na]+ 236.11919 155.9
[M-H]- 212.12269 148.7
[M+NH4]+ 231.16379 166.7
[M+K]+ 252.09313 152.4
[M+H-H2O]+ 196.12723 140.8
[M+HCOO]- 258.12817 165.9
[M+CH3COO]- 272.14382 188.9
[M+Na-2H]- 234.10464 148.8
[M]+ 213.12942 151.2
[M]- 213.13052 151.2
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

No patent data available for this compound.