CID 12049111

N-monoacetylcystine

Structural Information

Molecular Formula
C8H14N2O5S2
SMILES
CC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C8H14N2O5S2/c1-4(11)10-6(8(14)15)3-17-16-2-5(9)7(12)13/h5-6H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t5-,6-/m0/s1
InChIKey
ZLCOWUKVVFVVKA-WDSKDSINSA-N
Compound name
(2R)-3-[[(2R)-2-acetamido-2-carboxyethyl]disulfanyl]-2-aminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

75
References

1098
Patents

282.03442 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04170 160.2
[M+Na]+ 305.02364 161.5
[M-H]- 281.02714 155.4
[M+NH4]+ 300.06824 172.7
[M+K]+ 320.99758 158.4
[M+H-H2O]+ 265.03168 153.1
[M+HCOO]- 327.03262 166.1
[M+CH3COO]- 341.04827 197.6
[M+Na-2H]- 303.00909 155.4
[M]+ 282.03387 159.8
[M]- 282.03497 159.8
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