CID 9588399

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

Structural Information

Molecular Formula
C12H16N2OS
SMILES
C1CCC2=C(C1)C=CC(=C2)SC/C(=N\O)/N
InChI
InChI=1S/C12H16N2OS/c13-12(14-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,15H,1-4,8H2,(H2,13,14)
InChIKey
KDMPGNUFUYIDEW-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-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]+ 237.105606 149.4
[M+Na]+ 259.087548 154.2
[M-H]- 235.091054 152.4
[M+NH4]+ 254.132153 167.6
[M+K]+ 275.061488 150.2
[M+H-H2O]+ 219.095590 142.8
[M+HCOO]- 281.096531 165.4
[M+CH3COO]- 295.112181 193.9
[M+Na-2H]- 257.072996 152.8
[M]+ 236.09778142 146.6
[M]- 236.09887858 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.