CID 137698553

(butan-2-yl)(imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C5H13NOS
SMILES
CCC(C)S(=N)(=O)C
InChI
InChI=1S/C5H13NOS/c1-4-5(2)8(3,6)7/h5-6H,4H2,1-3H3
InChIKey
QKJIMLRHVWURPM-UHFFFAOYSA-N
Compound name
butan-2-yl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.0718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 129.8
[M+Na]+ 158.06102 138.5
[M+NH4]+ 153.10562 137.6
[M+K]+ 174.03496 132.5
[M-H]- 134.06452 129.0
[M+Na-2H]- 156.04647 132.6
[M]+ 135.07125 131.1
[M]- 135.07235 131.1
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.