CID 10241354

1026337-14-3

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CN(C)C(=O)C(CCSC)O
InChI
InChI=1S/C7H15NO2S/c1-8(2)7(10)6(9)4-5-11-3/h6,9H,4-5H2,1-3H3
InChIKey
HCMOVBCNKOGIES-UHFFFAOYSA-N
Compound name
2-hydroxy-N,N-dimethyl-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.08235 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 140.0
[M+Na]+ 200.07157 145.3
[M-H]- 176.07507 140.2
[M+NH4]+ 195.11617 160.2
[M+K]+ 216.04551 145.2
[M+H-H2O]+ 160.07961 134.4
[M+HCOO]- 222.08055 156.4
[M+CH3COO]- 236.09620 183.8
[M+Na-2H]- 198.05702 139.8
[M]+ 177.08180 143.0
[M]- 177.08290 143.0
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.