CID 12097392

1-(methylsulfanyl)propan-2-amine

Structural Information

Molecular Formula
C4H11NS
SMILES
CC(CSC)N
InChI
InChI=1S/C4H11NS/c1-4(5)3-6-2/h4H,3,5H2,1-2H3
InChIKey
ZXGNLASDUYGVFG-UHFFFAOYSA-N
Compound name
1-methylsulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

105.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.068496 120.4
[M+Na]+ 128.050438 127.3
[M-H]- 104.053944 120.6
[M+NH4]+ 123.095043 143.5
[M+K]+ 144.024378 126.5
[M+H-H2O]+ 88.058480 115.6
[M+HCOO]- 150.059421 138.4
[M+CH3COO]- 164.075071 170.0
[M+Na-2H]- 126.035886 122.8
[M]+ 105.06067142 120.4
[M]- 105.06176858 120.4
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