CID 12097380

2-propanamine, 2-methyl-1-(methylthio)-

Structural Information

Molecular Formula
C5H13NS
SMILES
CC(C)(CSC)N
InChI
InChI=1S/C5H13NS/c1-5(2,6)4-7-3/h4,6H2,1-3H3
InChIKey
YNOFOVLFZVOJQP-UHFFFAOYSA-N
Compound name
2-methyl-1-methylsulfanylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

140
Patents

119.07687 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.084146 125.0
[M+Na]+ 142.066088 132.2
[M-H]- 118.069594 125.2
[M+NH4]+ 137.110693 147.7
[M+K]+ 158.040028 131.0
[M+H-H2O]+ 102.074130 120.6
[M+HCOO]- 164.075071 142.3
[M+CH3COO]- 178.090721 172.5
[M+Na-2H]- 140.051536 128.6
[M]+ 119.07632142 125.5
[M]- 119.07741858 125.5
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