CID 59514923

3-(aminooxy)propane-1-thiol hydrochloride

Structural Information

Molecular Formula
C3H9NOS
SMILES
C(CON)CS
InChI
InChI=1S/C3H9NOS/c4-5-2-1-3-6/h6H,1-4H2
InChIKey
RADBHZXDMDUQEK-UHFFFAOYSA-N
Compound name
O-(3-sulfanylpropyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

107.04048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.047756 118.5
[M+Na]+ 130.029698 126.0
[M-H]- 106.033204 118.7
[M+NH4]+ 125.074303 141.5
[M+K]+ 146.003638 125.4
[M+H-H2O]+ 90.037740 113.7
[M+HCOO]- 152.038681 138.2
[M+CH3COO]- 166.054331 168.1
[M+Na-2H]- 128.015146 122.6
[M]+ 107.03993142 120.2
[M]- 107.04102858 120.2
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