CID 20510516

1,3,4-thiadiazole-2-carbaldehyde

Structural Information

Molecular Formula
C3H2N2OS
SMILES
C1=NN=C(S1)C=O
InChI
InChI=1S/C3H2N2OS/c6-1-3-5-4-2-7-3/h1-2H
InChIKey
UXTIRLFDCHFIID-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

113.988785 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.99606 116.5
[M+Na]+ 136.97800 127.4
[M-H]- 112.98151 118.5
[M+NH4]+ 132.02261 139.1
[M+K]+ 152.95194 126.3
[M+H-H2O]+ 96.986045 110.6
[M+HCOO]- 158.98699 136.5
[M+CH3COO]- 173.00264 163.8
[M+Na-2H]- 134.96345 121.6
[M]+ 113.98824 119.0
[M]- 113.98933 119.0
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