CID 119082616

2-isothiocyanato-6-methoxypyridine

Structural Information

Molecular Formula
C7H6N2OS
SMILES
COC1=CC=CC(=N1)N=C=S
InChI
InChI=1S/C7H6N2OS/c1-10-7-4-2-3-6(9-7)8-5-11/h2-4H,1H3
InChIKey
UMDSUFVBISOUBO-UHFFFAOYSA-N
Compound name
2-isothiocyanato-6-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02008 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 130.2
[M+Na]+ 189.00930 139.9
[M-H]- 165.01280 134.6
[M+NH4]+ 184.05390 150.7
[M+K]+ 204.98324 137.4
[M+H-H2O]+ 149.01734 123.6
[M+HCOO]- 211.01828 152.0
[M+CH3COO]- 225.03393 179.9
[M+Na-2H]- 186.99475 136.2
[M]+ 166.01953 133.5
[M]- 166.02063 133.5
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.