CID 58684000

1-methanesulfinylpropan-2-amine

Structural Information

Molecular Formula
C4H11NOS
SMILES
CC(CS(=O)C)N
InChI
InChI=1S/C4H11NOS/c1-4(5)3-7(2)6/h4H,3,5H2,1-2H3
InChIKey
GKPYCCZIRSEVMW-UHFFFAOYSA-N
Compound name
1-methylsulfinylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

121.05614 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06342 123.6
[M+Na]+ 144.04536 130.4
[M-H]- 120.04886 123.8
[M+NH4]+ 139.08996 145.8
[M+K]+ 160.01930 129.8
[M+H-H2O]+ 104.05340 118.7
[M+HCOO]- 166.05434 141.0
[M+CH3COO]- 180.06999 171.9
[M+Na-2H]- 142.03081 124.8
[M]+ 121.05559 123.7
[M]- 121.05669 123.7
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