CID 75175940

1401522-01-7

Structural Information

Molecular Formula
C11H9NOS
SMILES
CC1=NSC(=C1)C2=CC=CC(=C2)C=O
InChI
InChI=1S/C11H9NOS/c1-8-5-11(14-12-8)10-4-2-3-9(6-10)7-13/h2-7H,1H3
InChIKey
IQJYCRMKKIXHEK-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 143.0
[M+Na]+ 226.02970 157.2
[M+NH4]+ 221.07430 152.6
[M+K]+ 242.00364 149.3
[M-H]- 202.03320 147.1
[M+Na-2H]- 224.01515 151.2
[M]+ 203.03993 146.7
[M]- 203.04103 146.7
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.