CID 9570574

Brn 1934542

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CC(C)(C)/C(=N\O)/CS(=O)C
InChI
InChI=1S/C7H15NO2S/c1-7(2,3)6(8-9)5-11(4)10/h9H,5H2,1-4H3/b8-6-
InChIKey
MMRFNEPLWRQWEX-VURMDHGXSA-N
Compound name
(NE)-N-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 138.9
[M+Na]+ 200.07157 145.2
[M-H]- 176.07507 139.4
[M+NH4]+ 195.11617 159.3
[M+K]+ 216.04551 144.5
[M+H-H2O]+ 160.07961 134.0
[M+HCOO]- 222.08055 155.1
[M+CH3COO]- 236.09620 181.6
[M+Na-2H]- 198.05702 140.6
[M]+ 177.08180 141.3
[M]- 177.08290 141.3
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.