CID 155978096

2742630-80-2

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CS(=N)(=O)C1CC(C1)N
InChI
InChI=1S/C5H12N2OS/c1-9(7,8)5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3
InChIKey
XYIAGBIJXICJTL-UHFFFAOYSA-N
Compound name
3-(methylsulfonimidoyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07431 128.5
[M+Na]+ 171.05625 133.2
[M-H]- 147.05975 131.3
[M+NH4]+ 166.10085 142.5
[M+K]+ 187.03019 134.4
[M+H-H2O]+ 131.06429 116.8
[M+HCOO]- 193.06523 145.2
[M+CH3COO]- 207.08088 180.2
[M+Na-2H]- 169.04170 131.3
[M]+ 148.06648 134.0
[M]- 148.06758 134.0
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.