CID 90167

Dtxsid00946333

Structural Information

Molecular Formula
C7H17NS
SMILES
CCNCCCCCS
InChI
InChI=1S/C7H17NS/c1-2-8-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKey
SLTPYMXITKVCBF-UHFFFAOYSA-N
Compound name
5-(ethylamino)pentane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.10817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.115446 132.5
[M+Na]+ 170.097388 138.5
[M-H]- 146.100894 132.6
[M+NH4]+ 165.141993 154.3
[M+K]+ 186.071328 136.8
[M+H-H2O]+ 130.105430 127.1
[M+HCOO]- 192.106371 151.3
[M+CH3COO]- 206.122021 179.0
[M+Na-2H]- 168.082836 135.7
[M]+ 147.10762142 135.3
[M]- 147.10871858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.