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]+ 131.027356 120.9
[M+Na]+ 153.009298 132.1
[M-H]- 129.012804 123.6
[M+NH4]+ 148.053903 142.0
[M+K]+ 168.983238 132.2
[M+H-H2O]+ 113.017340 115.2
[M+HCOO]- 175.018281 139.6
[M+CH3COO]- 189.033931 168.7
[M+Na-2H]- 150.994746 125.6
[M]+ 130.01953142 125.3
[M]- 130.02062858 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