CID 130295971

(5-methyl-1,3,4-oxadiazol-2-yl)methanethiol

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1=NN=C(O1)CS
InChI
InChI=1S/C4H6N2OS/c1-3-5-6-4(2-8)7-3/h8H,2H2,1H3
InChIKey
FEIHBKNANPZRMN-UHFFFAOYSA-N
Compound name
(5-methyl-1,3,4-oxadiazol-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

130.02008 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 120.9
[M+Na]+ 153.00930 132.1
[M-H]- 129.01280 123.6
[M+NH4]+ 148.05390 142.0
[M+K]+ 168.98324 132.2
[M+H-H2O]+ 113.01734 115.2
[M+HCOO]- 175.01828 139.6
[M+CH3COO]- 189.03393 168.7
[M+Na-2H]- 150.99475 125.6
[M]+ 130.01953 125.3
[M]- 130.02063 125.3
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