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

7
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

No literature data available for this compound.

Patent stripe

patents stripe