CID 165760952

[(1-aminocyclobutyl)methyl](imino)methyl-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula
C6H14N2OS
SMILES
CS(=N)(=O)CC1(CCC1)N
InChI
InChI=1S/C6H14N2OS/c1-10(8,9)5-6(7)3-2-4-6/h8H,2-5,7H2,1H3
InChIKey
PUQQRIMMTLZUCV-UHFFFAOYSA-N
Compound name
1-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08269 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.089966 133.6
[M+Na]+ 185.071908 137.8
[M-H]- 161.075414 136.1
[M+NH4]+ 180.116513 148.7
[M+K]+ 201.045848 138.8
[M+H-H2O]+ 145.079950 123.0
[M+HCOO]- 207.080891 149.9
[M+CH3COO]- 221.096541 181.5
[M+Na-2H]- 183.057356 137.9
[M]+ 162.08214142 139.5
[M]- 162.08323858 139.5
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.