CID 137417687

Imino(methyl)(oxetan-3-yl)-lambda6-sulfanone

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CS(=N)(=O)C1COC1
InChI
InChI=1S/C4H9NO2S/c1-8(5,6)4-2-7-3-4/h4-5H,2-3H2,1H3
InChIKey
WNJNCGUYGUQWAP-UHFFFAOYSA-N
Compound name
imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

135.0354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 118.7
[M+Na]+ 158.024618 124.1
[M-H]- 134.028124 122.9
[M+NH4]+ 153.069223 132.6
[M+K]+ 173.998558 127.4
[M+H-H2O]+ 118.032660 108.0
[M+HCOO]- 180.033601 135.4
[M+CH3COO]- 194.049251 173.9
[M+Na-2H]- 156.010066 124.9
[M]+ 135.03485142 127.4
[M]- 135.03594858 127.4
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

patents stripe