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]+ 178.089626 140.0
[M+Na]+ 200.071568 145.3
[M-H]- 176.075074 140.2
[M+NH4]+ 195.116173 160.2
[M+K]+ 216.045508 145.2
[M+H-H2O]+ 160.079610 134.4
[M+HCOO]- 222.080551 156.4
[M+CH3COO]- 236.096201 183.8
[M+Na-2H]- 198.057016 139.8
[M]+ 177.08180142 143.0
[M]- 177.08289858 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.