CID 14598981

123511-58-0

Structural Information

Molecular Formula
C9H7NO2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)C=O
InChI
InChI=1S/C9H7NO2S/c1-12-6-2-3-7-8(4-6)13-9(5-11)10-7/h2-5H,1H3
InChIKey
OKHUCLUQYGGJFA-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-benzothiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

193.01974 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 137.7
[M+Na]+ 216.00896 151.7
[M+NH4]+ 211.05356 147.1
[M+K]+ 231.98290 144.5
[M-H]- 192.01246 139.8
[M+Na-2H]- 213.99441 144.1
[M]+ 193.01919 140.8
[M]- 193.02029 140.8
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