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]+ 155.02736 131.1
[M+Na]+ 177.00930 143.2
[M-H]- 153.01280 136.7
[M+NH4]+ 172.05390 147.2
[M+K]+ 192.98324 139.8
[M+H-H2O]+ 137.01734 124.1
[M+HCOO]- 199.01828 150.6
[M+CH3COO]- 213.03393 145.1
[M+Na-2H]- 174.99475 134.1
[M]+ 154.01953 135.8
[M]- 154.02063 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