CID 9588397

N-hydroxy-2-((5,6,7,8-tetrahydro-1-naphthalenyl)thio)ethanimidamide hydrochloride

Structural Information

Molecular Formula
C12H16N2OS
SMILES
C1CCC2=C(C1)C=CC=C2SC/C(=N\O)/N
InChI
InChI=1S/C12H16N2OS/c13-12(14-15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7,15H,1-2,4,6,8H2,(H2,13,14)
InChIKey
QDSRGLICFULQNI-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-1-ylsulfanyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 149.4
[M+Na]+ 259.08755 154.2
[M-H]- 235.09105 152.4
[M+NH4]+ 254.13215 167.6
[M+K]+ 275.06149 150.2
[M+H-H2O]+ 219.09559 142.8
[M+HCOO]- 281.09653 165.4
[M+CH3COO]- 295.11218 193.9
[M+Na-2H]- 257.07300 152.8
[M]+ 236.09778 146.6
[M]- 236.09888 146.6
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.