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
10
Annotation Hits

10243
References

27092
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 110.2
[M+Na]+ 101.00316 118.7
[M-H]- 77.006664 110.0
[M+NH4]+ 96.047763 134.4
[M+K]+ 116.97710 118.1
[M+H-H2O]+ 61.011200 106.5
[M+HCOO]- 123.01214 128.5
[M+CH3COO]- 137.02779 158.4
[M+Na-2H]- 98.988606 115.2
[M]+ 78.013391 111.6
[M]- 78.014489 111.6
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.