CID 107812

Hypotaurine

Structural Information

Molecular Formula
C2H7NO2S
SMILES
C(CS(=O)O)N
InChI
InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
InChIKey
VVIUBCNYACGLLV-UHFFFAOYSA-N
Compound name
2-aminoethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

434
References

6539
Patents

109.01975 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.02703 117.8
[M+Na]+ 132.00897 125.2
[M-H]- 108.01247 116.7
[M+NH4]+ 127.05357 139.8
[M+K]+ 147.98291 124.1
[M+H-H2O]+ 92.017010 113.2
[M+HCOO]- 154.01795 135.7
[M+CH3COO]- 168.03360 164.4
[M+Na-2H]- 129.99442 120.8
[M]+ 109.01920 117.3
[M]- 109.02030 117.3
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