CID 49866632

(2s)-2-aminopropanethioic s-acid

Structural Information

Molecular Formula
C3H7NOS
SMILES
C[C@@H](C(=O)S)N
InChI
InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey
YXXURDJTDAAEPH-REOHCLBHSA-N
Compound name
(2S)-2-aminopropanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

105.02483 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.032106 118.6
[M+Na]+ 128.014048 125.9
[M-H]- 104.017554 119.0
[M+NH4]+ 123.058653 141.5
[M+K]+ 143.987988 125.6
[M+H-H2O]+ 88.022090 114.0
[M+HCOO]- 150.023031 136.4
[M+CH3COO]- 164.038681 168.8
[M+Na-2H]- 125.999496 120.4
[M]+ 105.02428142 118.4
[M]- 105.02537858 118.4
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