CID 14484

N-acetylcysteamine

Structural Information

Molecular Formula
C4H9NOS
SMILES
CC(=O)NCCS
InChI
InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKey
AXFZADXWLMXITO-UHFFFAOYSA-N
Compound name
N-(2-sulfanylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

2676
Patents

119.04048 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 122.4
[M+Na]+ 142.02970 129.7
[M-H]- 118.03320 123.2
[M+NH4]+ 137.07430 145.2
[M+K]+ 158.00364 129.0
[M+H-H2O]+ 102.03774 117.6
[M+HCOO]- 164.03868 141.6
[M+CH3COO]- 178.05433 171.0
[M+Na-2H]- 140.01515 126.0
[M]+ 119.03993 124.2
[M]- 119.04103 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe