CID 820976

4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde

Structural Information

Molecular Formula
C11H9NOS
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChIKey
KZEOQFIBKXJGEX-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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 141.4
[M+Na]+ 226.02970 152.2
[M-H]- 202.03320 148.1
[M+NH4]+ 221.07430 162.1
[M+K]+ 242.00364 148.3
[M+H-H2O]+ 186.03774 135.0
[M+HCOO]- 248.03868 161.8
[M+CH3COO]- 262.05433 155.8
[M+Na-2H]- 224.01515 143.8
[M]+ 203.03993 144.7
[M]- 203.04103 144.7
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

patents stripe