CID 1567

2-mercaptoethanol

Structural Information

Molecular Formula
C2H6OS
SMILES
C(CS)O
InChI
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChIKey
DGVVWUTYPXICAM-UHFFFAOYSA-N
Compound name
2-sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

10243
References

17700
Patents

78.01394 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.021216 111.2
[M+Na]+ 101.00316 121.9
[M+NH4]+ 96.047763 120.6
[M+K]+ 116.97710 114.7
[M-H]- 77.006664 111.3
[M+Na-2H]- 98.988606 115.3
[M]+ 78.013391 113.1
[M]- 78.014489 113.1
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