CID 61938

Butoxycarboxim

Structural Information

Molecular Formula

C₇H₁₄N₂O₄S

SMILES

CC(C(=NOC(=O)NC)C)S(=O)(=O)C

InChI

InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)

InChIKey

CTJBHIROCMPUKL-UHFFFAOYSA-N

Compound name

(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 13679
Patents: 222.06743 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.07471	149.7
[M+Na]+	245.05665	155.1
[M+NH4]+	240.10125	154.4
[M+K]+	261.03059	151.9
[M-H]-	221.06015	146.9
[M+Na-2H]-	243.04210	150.1
[M]+	222.06688	149.5
[M]-	222.06798	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe