CID 12995916

(r)-n-[(1e)-ethylidene]-2-methylpropane-2-sulfinamide

Structural Information

Molecular Formula
C6H13NOS
SMILES
C/C=N/[S@](=O)C(C)(C)C
InChI
InChI=1S/C6H13NOS/c1-5-7-9(8)6(2,3)4/h5H,1-4H3/b7-5+/t9-/m1/s1
InChIKey
SFPPCFXOSJAOKL-VPIOIWJLSA-N
Compound name
(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

147.0718 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 130.5
[M+Na]+ 170.06102 138.1
[M-H]- 146.06452 132.7
[M+NH4]+ 165.10562 153.1
[M+K]+ 186.03496 137.7
[M+H-H2O]+ 130.06906 125.7
[M+HCOO]- 192.07000 149.3
[M+CH3COO]- 206.08565 178.5
[M+Na-2H]- 168.04647 134.2
[M]+ 147.07125 133.6
[M]- 147.07235 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe