CID 145912930

2273183-25-6

Structural Information

Molecular Formula
C12H23NS
SMILES
CCN(CCC#C)CCSC(C)(C)C
InChI
InChI=1S/C12H23NS/c1-6-8-9-13(7-2)10-11-14-12(3,4)5/h1H,7-11H2,2-5H3
InChIKey
RZXMHVFQJOQFND-UHFFFAOYSA-N
Compound name
N-(2-tert-butylsulfanylethyl)-N-ethylbut-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15512 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.162396 154.5
[M+Na]+ 236.144338 161.7
[M-H]- 212.147844 155.6
[M+NH4]+ 231.188943 172.5
[M+K]+ 252.118278 160.3
[M+H-H2O]+ 196.152380 143.0
[M+HCOO]- 258.153321 165.9
[M+CH3COO]- 272.168971 202.2
[M+Na-2H]- 234.129786 154.8
[M]+ 213.15457142 153.7
[M]- 213.15566858 153.7
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.