CID 65668588

[2-(but-3-yn-1-ylsulfanyl)ethyl]diethylamine

Structural Information

Molecular Formula
C10H19NS
SMILES
CCN(CC)CCSCCC#C
InChI
InChI=1S/C10H19NS/c1-4-7-9-12-10-8-11(5-2)6-3/h1H,5-10H2,2-3H3
InChIKey
TZPWJESQLNYUQM-UHFFFAOYSA-N
Compound name
2-but-3-ynylsulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12383 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.131106 142.6
[M+Na]+ 208.113048 150.3
[M-H]- 184.116554 143.8
[M+NH4]+ 203.157653 161.6
[M+K]+ 224.086988 148.9
[M+H-H2O]+ 168.121090 131.1
[M+HCOO]- 230.122031 156.0
[M+CH3COO]- 244.137681 197.1
[M+Na-2H]- 206.098496 143.7
[M]+ 185.12328142 141.9
[M]- 185.12437858 141.9
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.