CID 6058

Cysteamine

Structural Information

Molecular Formula
C2H7NS
SMILES
C(CS)N
InChI
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
InChIKey
UFULAYFCSOUIOV-UHFFFAOYSA-N
Compound name
2-aminoethanethiol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3934
References

97248
Patents

77.02992 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.037196 110.7
[M+Na]+ 100.01914 118.7
[M-H]- 76.022644 111.2
[M+NH4]+ 95.063743 135.0
[M+K]+ 115.99308 118.0
[M+H-H2O]+ 60.027180 106.3
[M+HCOO]- 122.02812 130.5
[M+CH3COO]- 136.04377 163.1
[M+Na-2H]- 98.004586 115.3
[M]+ 77.029371 110.6
[M]- 77.030469 110.6
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