CID 3035711

140703-15-7

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CCN(CC)C(=O)S(=O)C
InChI
InChI=1S/C6H13NO2S/c1-4-7(5-2)6(8)10(3)9/h4-5H2,1-3H3
InChIKey
FQSRGOGWCPXJIN-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-methylsulfinylformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

115
Patents

163.0667 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 134.2
[M+Na]+ 186.05592 140.7
[M-H]- 162.05942 136.2
[M+NH4]+ 181.10052 155.8
[M+K]+ 202.02986 141.3
[M+H-H2O]+ 146.06396 128.7
[M+HCOO]- 208.06490 152.6
[M+CH3COO]- 222.08055 181.9
[M+Na-2H]- 184.04137 135.0
[M]+ 163.06615 138.0
[M]- 163.06725 138.0
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.