CID 5288022

2-decenoyl n-acetyl cysteamine

Structural Information

Molecular Formula
C14H25NO2S
SMILES
CCCCCCC/C=C\C(=O)SCCNC(=O)C
InChI
InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-
InChIKey
HYDKTIAWESXLEF-KTKRTIGZSA-N
Compound name
S-(2-acetamidoethyl) (Z)-dec-2-enethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

271.1606 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16788 168.6
[M+Na]+ 294.14982 171.9
[M-H]- 270.15332 167.6
[M+NH4]+ 289.19442 185.1
[M+K]+ 310.12376 168.4
[M+H-H2O]+ 254.15786 161.8
[M+HCOO]- 316.15880 184.2
[M+CH3COO]- 330.17445 200.7
[M+Na-2H]- 292.13527 166.2
[M]+ 271.16005 173.3
[M]- 271.16115 173.3
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