CID 137350062

S-disulfanyl-l-cysteine

Structural Information

Molecular Formula
C3H7NO2S3
SMILES
C([C@@H](C(=O)O)N)SSS
InChI
InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
WBUQYANSBCOQMP-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-(trisulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.9639 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.97118 133.2
[M+Na]+ 207.95312 138.6
[M-H]- 183.95662 130.2
[M+NH4]+ 202.99772 150.9
[M+K]+ 223.92706 133.4
[M+H-H2O]+ 167.96116 127.3
[M+HCOO]- 229.96210 136.8
[M+CH3COO]- 243.97775 179.4
[M+Na-2H]- 205.93857 131.4
[M]+ 184.96335 132.0
[M]- 184.96445 132.0
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