CID 83815398

4-cyclopropyl-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1CC1C2=C(SC=N2)C=O
InChI
InChI=1S/C7H7NOS/c9-3-6-7(5-1-2-5)8-4-10-6/h3-5H,1-2H2
InChIKey
ONXKBYSEXNGIFC-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 127.9
[M+Na]+ 176.014058 139.5
[M-H]- 152.017564 134.9
[M+NH4]+ 171.058663 145.4
[M+K]+ 191.987998 136.3
[M+H-H2O]+ 136.022100 121.6
[M+HCOO]- 198.023041 148.3
[M+CH3COO]- 212.038691 176.4
[M+Na-2H]- 173.999506 131.0
[M]+ 153.02429142 132.6
[M]- 153.02538858 132.6
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