CID 4962748

3-[4-cyclopentyl-5-(methylsulfanyl)-4h-1,2,4-triazol-3-yl]propan-1-amine hydroiodide

Structural Information

Molecular Formula
C11H20N4S
SMILES
CSC1=NN=C(N1C2CCCC2)CCCN
InChI
InChI=1S/C11H20N4S/c1-16-11-14-13-10(7-4-8-12)15(11)9-5-2-3-6-9/h9H,2-8,12H2,1H3
InChIKey
CHUGYRWUYVEDPA-UHFFFAOYSA-N
Compound name
3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.14087 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14815 155.1
[M+Na]+ 263.13009 162.8
[M-H]- 239.13359 157.8
[M+NH4]+ 258.17469 172.8
[M+K]+ 279.10403 159.5
[M+H-H2O]+ 223.13813 147.0
[M+HCOO]- 285.13907 170.9
[M+CH3COO]- 299.15472 192.3
[M+Na-2H]- 261.11554 152.4
[M]+ 240.14032 155.2
[M]- 240.14142 155.2
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.