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]+ 151.08997 130.8
[M+Na]+ 173.07191 137.4
[M-H]- 149.07541 130.7
[M+NH4]+ 168.11651 151.6
[M+K]+ 189.04585 135.1
[M+H-H2O]+ 133.07995 125.6
[M+HCOO]- 195.08089 149.5
[M+CH3COO]- 209.09654 177.5
[M+Na-2H]- 171.05736 134.8
[M]+ 150.08214 130.4
[M]- 150.08324 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.