CID 120701

Cystinol

Structural Information

Molecular Formula
C6H16N2O2S2
SMILES
C(C(CSSCC(CO)N)N)O
InChI
InChI=1S/C6H16N2O2S2/c7-5(1-9)3-11-12-4-6(8)2-10/h5-6,9-10H,1-4,7-8H2
InChIKey
GMYWIQKRNIZTOF-UHFFFAOYSA-N
Compound name
2-amino-3-[(2-amino-3-hydroxypropyl)disulfanyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.06532 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07260 143.0
[M+Na]+ 235.05454 146.1
[M-H]- 211.05804 138.1
[M+NH4]+ 230.09914 159.0
[M+K]+ 251.02848 141.7
[M+H-H2O]+ 195.06258 136.6
[M+HCOO]- 257.06352 150.8
[M+CH3COO]- 271.07917 185.1
[M+Na-2H]- 233.03999 140.3
[M]+ 212.06477 140.7
[M]- 212.06587 140.7
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