CID 22801374

Cysteinyl thiol

Structural Information

Molecular Formula
C3H7NOS2
SMILES
C([C@@H](C(=O)S)N)S
InChI
InChI=1S/C3H7NOS2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H,5,7)/t2-/m0/s1
InChIKey
BUTXNGJCCCGNMV-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-sulfanylpropanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

9004
Patents

136.9969 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.00418 124.0
[M+Na]+ 159.98612 130.8
[M-H]- 135.98962 123.8
[M+NH4]+ 155.03072 145.3
[M+K]+ 175.96006 128.7
[M+H-H2O]+ 119.99416 118.7
[M+HCOO]- 181.99510 135.5
[M+CH3COO]- 196.01075 173.9
[M+Na-2H]- 157.97157 123.5
[M]+ 136.99635 124.3
[M]- 136.99745 124.3
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

No patent data available for this compound.