CID 1622360

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

Structural Information

Molecular Formula
C7H13N3S
SMILES
CCCCCC1=NN=C(S1)N
InChI
InChI=1S/C7H13N3S/c1-2-3-4-5-6-9-10-7(8)11-6/h2-5H2,1H3,(H2,8,10)
InChIKey
ZTUVGDVRIPDQSI-UHFFFAOYSA-N
Compound name
5-pentyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

10
Patents

171.08302 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 135.3
[M+Na]+ 194.07224 144.2
[M-H]- 170.07574 136.2
[M+NH4]+ 189.11684 155.4
[M+K]+ 210.04618 141.5
[M+H-H2O]+ 154.08028 128.4
[M+HCOO]- 216.08122 153.9
[M+CH3COO]- 230.09687 179.9
[M+Na-2H]- 192.05769 137.3
[M]+ 171.08247 137.1
[M]- 171.08357 137.1
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