CID 4265180

Dimethylsulfoniopropanoate-amine

Structural Information

Molecular Formula
C5H14NS
SMILES
C[S+](C)CCCN
InChI
InChI=1S/C5H14NS/c1-7(2)5-3-4-6/h3-6H2,1-2H3/q+1
InChIKey
XTPSFJKQTTVFCK-UHFFFAOYSA-N
Compound name
3-aminopropyl(dimethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

8
Patents

120.084694 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.09197 122.2
[M+Na]+ 143.07391 128.7
[M-H]- 119.07742 122.6
[M+NH4]+ 138.11852 144.5
[M+K]+ 159.04785 122.4
[M+H-H2O]+ 103.08195 120.2
[M+HCOO]- 165.08290 139.8
[M+CH3COO]- 179.09854 166.4
[M+Na-2H]- 141.05936 126.5
[M]+ 120.08415 121.1
[M]- 120.08524 121.1
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