CID 45083784

211942-97-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

153.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 127.9
[M+Na]+ 176.01406 139.5
[M-H]- 152.01756 134.9
[M+NH4]+ 171.05866 145.4
[M+K]+ 191.98800 136.3
[M+H-H2O]+ 136.02210 121.6
[M+HCOO]- 198.02304 148.3
[M+CH3COO]- 212.03869 176.4
[M+Na-2H]- 173.99951 131.0
[M]+ 153.02429 132.6
[M]- 153.02539 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