CID 115011967

5-cyclopropyl-1,3,4-thiadiazole-2-carbaldehyde

Structural Information

Molecular Formula
C6H6N2OS
SMILES
C1CC1C2=NN=C(S2)C=O
InChI
InChI=1S/C6H6N2OS/c9-3-5-7-8-6(10-5)4-1-2-4/h3-4H,1-2H2
InChIKey
ZUQHBXBZYFYPFC-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,3,4-thiadiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.027356 131.1
[M+Na]+ 177.009298 143.2
[M-H]- 153.012804 136.7
[M+NH4]+ 172.053903 147.2
[M+K]+ 192.983238 139.8
[M+H-H2O]+ 137.017340 124.1
[M+HCOO]- 199.018281 150.6
[M+CH3COO]- 213.033931 145.1
[M+Na-2H]- 174.994746 134.1
[M]+ 154.01953142 135.8
[M]- 154.02062858 135.8
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