CID 165744144

[2-(tert-butylsulfanyl)ethyl]bis(prop-2-yn-1-yl)amine

Structural Information

Molecular Formula
C12H19NS
SMILES
CC(C)(C)SCCN(CC#C)CC#C
InChI
InChI=1S/C12H19NS/c1-6-8-13(9-7-2)10-11-14-12(3,4)5/h1-2H,8-11H2,3-5H3
InChIKey
QOGVAVPKWICNJX-UHFFFAOYSA-N
Compound name
N-(2-tert-butylsulfanylethyl)-N-prop-2-ynylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13111 163.4
[M+Na]+ 232.11305 171.8
[M-H]- 208.11655 166.0
[M+NH4]+ 227.15765 176.8
[M+K]+ 248.08699 170.1
[M+H-H2O]+ 192.12109 149.8
[M+HCOO]- 254.12203 168.7
[M+CH3COO]- 268.13768 216.3
[M+Na-2H]- 230.09850 162.1
[M]+ 209.12328 158.1
[M]- 209.12438 158.1
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.