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

12
Patents

133.05614 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 126.8
[M+Na]+ 156.04536 133.8
[M-H]- 132.04886 128.9
[M+NH4]+ 151.08996 149.7
[M+K]+ 172.01930 134.3
[M+H-H2O]+ 116.05340 121.6
[M+HCOO]- 178.05434 146.1
[M+CH3COO]- 192.06999 177.6
[M+Na-2H]- 154.03081 129.2
[M]+ 133.05559 130.2
[M]- 133.05669 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