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]+ 167.027356 130.2
[M+Na]+ 189.009298 139.9
[M-H]- 165.012804 134.6
[M+NH4]+ 184.053903 150.7
[M+K]+ 204.983238 137.4
[M+H-H2O]+ 149.017340 123.6
[M+HCOO]- 211.018281 152.0
[M+CH3COO]- 225.033931 179.9
[M+Na-2H]- 186.994746 136.2
[M]+ 166.01953142 133.5
[M]- 166.02062858 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.