CID 458737

Thiocyanic acid, 2-amino-1-naphthalenyl ester

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1=CC=C2C(=C1)C=CC(=C2SC#N)N
InChI
InChI=1S/C11H8N2S/c12-7-14-11-9-4-2-1-3-8(9)5-6-10(11)13/h1-6H,13H2
InChIKey
XMPBYXODMLJBAN-UHFFFAOYSA-N
Compound name
(2-aminonaphthalen-1-yl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04082 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 147.9
[M+Na]+ 223.03004 159.8
[M-H]- 199.03354 152.2
[M+NH4]+ 218.07464 166.7
[M+K]+ 239.00398 153.8
[M+H-H2O]+ 183.03808 136.0
[M+HCOO]- 245.03902 163.5
[M+CH3COO]- 259.05467 159.7
[M+Na-2H]- 221.01549 152.5
[M]+ 200.04027 143.6
[M]- 200.04137 143.6
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

No patent data available for this compound.