CID 90167

2-((3-ethylaminopropyl)amino)ethanethiol dihydrochloride

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]+ 148.11545 132.5
[M+Na]+ 170.09739 138.5
[M-H]- 146.10089 132.6
[M+NH4]+ 165.14199 154.3
[M+K]+ 186.07133 136.8
[M+H-H2O]+ 130.10543 127.1
[M+HCOO]- 192.10637 151.3
[M+CH3COO]- 206.12202 179.0
[M+Na-2H]- 168.08284 135.7
[M]+ 147.10762 135.3
[M]- 147.10872 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.