CID 108022

S-nitrosomercaptoethanol

Structural Information

Molecular Formula
C2H5NO2S
SMILES
C(CSN=O)O
InChI
InChI=1S/C2H5NO2S/c4-1-2-6-3-5/h4H,1-2H2
InChIKey
AVGNNQMFRRYDBY-UHFFFAOYSA-N
Compound name
2-nitrososulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

123
References

82
Patents

107.0041 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.011376 115.8
[M+Na]+ 129.993318 123.9
[M-H]- 105.996824 116.7
[M+NH4]+ 125.037923 138.9
[M+K]+ 145.967258 123.7
[M+H-H2O]+ 90.001360 111.0
[M+HCOO]- 152.002301 136.9
[M+CH3COO]- 166.017951 166.8
[M+Na-2H]- 127.978766 121.5
[M]+ 107.00355142 118.9
[M]- 107.00464858 118.9
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