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]+ 163.08997 133.6
[M+Na]+ 185.07191 137.8
[M-H]- 161.07541 136.1
[M+NH4]+ 180.11651 148.7
[M+K]+ 201.04585 138.8
[M+H-H2O]+ 145.07995 123.0
[M+HCOO]- 207.08089 149.9
[M+CH3COO]- 221.09654 181.5
[M+Na-2H]- 183.05736 137.9
[M]+ 162.08214 139.5
[M]- 162.08324 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.