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

199
Patents

105.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06850 120.6
[M+Na]+ 128.05044 129.9
[M+NH4]+ 123.09504 129.8
[M+K]+ 144.02438 123.0
[M-H]- 104.05394 121.4
[M+Na-2H]- 126.03589 124.1
[M]+ 105.06067 122.4
[M]- 105.06177 122.4
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