CID 45629

N-acetyl-methyl cysteamine

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC(=O)N(C)CCS
InChI
InChI=1S/C5H11NOS/c1-5(7)6(2)3-4-8/h8H,3-4H2,1-2H3
InChIKey
LDAUOBUOYLAKLI-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-sulfanylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

133.05614 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 126.8
[M+Na]+ 156.045358 133.8
[M-H]- 132.048864 128.9
[M+NH4]+ 151.089963 149.7
[M+K]+ 172.019298 134.3
[M+H-H2O]+ 116.053400 121.6
[M+HCOO]- 178.054341 146.1
[M+CH3COO]- 192.069991 177.6
[M+Na-2H]- 154.030806 129.2
[M]+ 133.05559142 130.2
[M]- 133.05668858 130.2
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

patents stripe