CID 201386

2-hexylaminoethanethiol

Structural Information

Molecular Formula
C8H19NS
SMILES
CCCCCCNCCS
InChI
InChI=1S/C8H19NS/c1-2-3-4-5-6-9-7-8-10/h9-10H,2-8H2,1H3
InChIKey
FOJKLQJQWBGCFT-UHFFFAOYSA-N
Compound name
2-(hexylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

161.12383 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.13111 136.9
[M+Na]+ 184.11305 142.4
[M-H]- 160.11655 136.8
[M+NH4]+ 179.15765 158.1
[M+K]+ 200.08699 140.5
[M+H-H2O]+ 144.12109 131.3
[M+HCOO]- 206.12203 155.4
[M+CH3COO]- 220.13768 182.0
[M+Na-2H]- 182.09850 139.6
[M]+ 161.12328 140.1
[M]- 161.12438 140.1
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