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]+ 201.048096 147.9
[M+Na]+ 223.030038 159.8
[M-H]- 199.033544 152.2
[M+NH4]+ 218.074643 166.7
[M+K]+ 239.003978 153.8
[M+H-H2O]+ 183.038080 136.0
[M+HCOO]- 245.039021 163.5
[M+CH3COO]- 259.054671 159.7
[M+Na-2H]- 221.015486 152.5
[M]+ 200.04027142 143.6
[M]- 200.04136858 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.