CID 165935033

(4-aminobutyl)(imino)methyl-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula
C5H14N2OS
SMILES
CS(=N)(=O)CCCCN
InChI
InChI=1S/C5H14N2OS/c1-9(7,8)5-3-2-4-6/h7H,2-6H2,1H3
InChIKey
XESFTOQKNFFQAQ-UHFFFAOYSA-N
Compound name
4-(methylsulfonimidoyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08269 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.089966 130.8
[M+Na]+ 173.071908 137.4
[M-H]- 149.075414 130.7
[M+NH4]+ 168.116513 151.6
[M+K]+ 189.045848 135.1
[M+H-H2O]+ 133.079950 125.6
[M+HCOO]- 195.080891 149.5
[M+CH3COO]- 209.096541 177.5
[M+Na-2H]- 171.057356 134.8
[M]+ 150.08214142 130.4
[M]- 150.08323858 130.4
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

No patent data available for this compound.