CID 12234

Ethanaminium, 2-mercapto-n,n,n-trimethyl-

Structural Information

Molecular Formula
C5H14NS
SMILES
CC([N+](C)(C)C)S
InChI
InChI=1S/C5H13NS/c1-5(7)6(2,3)4/h5H,1-4H3/p+1
InChIKey
LVBPYWNMUMVQBA-UHFFFAOYSA-O
Compound name
trimethyl(1-sulfanylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

188
References

1
Patents

120.084694 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.09197 118.4
[M+Na]+ 143.07391 125.8
[M-H]- 119.07742 121.1
[M+NH4]+ 138.11852 142.1
[M+K]+ 159.04785 121.0
[M+H-H2O]+ 103.08195 117.0
[M+HCOO]- 165.08290 136.6
[M+CH3COO]- 179.09854 170.3
[M+Na-2H]- 141.05936 125.2
[M]+ 120.08415 119.4
[M]- 120.08524 119.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe