CID 145912959

2273646-98-1

Structural Information

Molecular Formula
C10H19NS
SMILES
CCN(CCC#C)CCSCC
InChI
InChI=1S/C10H19NS/c1-4-7-8-11(5-2)9-10-12-6-3/h1H,5-10H2,2-3H3
InChIKey
ZZANTEYXZZQSLQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-ethylsulfanylethyl)but-3-yn-1-amine
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]+ 186.13111 142.6
[M+Na]+ 208.11305 150.3
[M-H]- 184.11655 143.8
[M+NH4]+ 203.15765 161.6
[M+K]+ 224.08699 148.9
[M+H-H2O]+ 168.12109 131.1
[M+HCOO]- 230.12203 156.0
[M+CH3COO]- 244.13768 197.1
[M+Na-2H]- 206.09850 143.7
[M]+ 185.12328 141.9
[M]- 185.12438 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.