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]+ 214.16240 154.5
[M+Na]+ 236.14434 161.7
[M-H]- 212.14784 155.6
[M+NH4]+ 231.18894 172.5
[M+K]+ 252.11828 160.3
[M+H-H2O]+ 196.15238 143.0
[M+HCOO]- 258.15332 165.9
[M+CH3COO]- 272.16897 202.2
[M+Na-2H]- 234.12979 154.8
[M]+ 213.15457 153.7
[M]- 213.15567 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.