CID 15646084

(5-methyl-1,2-oxazol-3-yl)methanethiol

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=CC(=NO1)CS
InChI
InChI=1S/C5H7NOS/c1-4-2-5(3-8)6-7-4/h2,8H,3H2,1H3
InChIKey
INDASJJIKPECHA-UHFFFAOYSA-N
Compound name
(5-methyl-1,2-oxazol-3-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

129.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 121.2
[M+Na]+ 152.014058 131.9
[M-H]- 128.017564 125.3
[M+NH4]+ 147.058663 143.7
[M+K]+ 167.987998 131.9
[M+H-H2O]+ 112.022100 116.2
[M+HCOO]- 174.023041 140.8
[M+CH3COO]- 188.038691 169.0
[M+Na-2H]- 149.999506 125.7
[M]+ 129.02429142 125.6
[M]- 129.02538858 125.6
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