CID 145867239

2273354-38-2

Structural Information

Molecular Formula
C11H21NS
SMILES
CC(C)(C)SCCN(C)CCC#C
InChI
InChI=1S/C11H21NS/c1-6-7-8-12(5)9-10-13-11(2,3)4/h1H,7-10H2,2-5H3
InChIKey
JUUJRJTZVJJXLD-UHFFFAOYSA-N
Compound name
N-(2-tert-butylsulfanylethyl)-N-methylbut-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.13947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14675 143.7
[M+Na]+ 222.12869 152.5
[M+NH4]+ 217.17329 148.5
[M+K]+ 238.10263 142.5
[M-H]- 198.13219 136.5
[M+Na-2H]- 220.11414 144.4
[M]+ 199.13892 142.5
[M]- 199.14002 142.5
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.