CID 217678

39242-73-4

Structural Information

Molecular Formula
C9H7N3O2S
SMILES
CC1=C(SC(=N1)C2=CN=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O2S/c1-6-9(12(13)14)15-8(11-6)7-3-2-4-10-5-7/h2-5H,1H3
InChIKey
HEOWSOIDYOCWPD-UHFFFAOYSA-N
Compound name
4-methyl-5-nitro-2-pyridin-3-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

221.0259 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03318 143.5
[M+Na]+ 244.01512 152.9
[M-H]- 220.01862 148.9
[M+NH4]+ 239.05972 160.9
[M+K]+ 259.98906 145.4
[M+H-H2O]+ 204.02316 140.6
[M+HCOO]- 266.02410 163.8
[M+CH3COO]- 280.03975 179.8
[M+Na-2H]- 242.00057 148.7
[M]+ 221.02535 143.8
[M]- 221.02645 143.8
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

patents stripe