CID 165950256

(2-methylpyrimidin-5-yl)methanethiol

Structural Information

Molecular Formula
C6H8N2S
SMILES
CC1=NC=C(C=N1)CS
InChI
InChI=1S/C6H8N2S/c1-5-7-2-6(4-9)3-8-5/h2-3,9H,4H2,1H3
InChIKey
MFGARXWKKWKATH-UHFFFAOYSA-N
Compound name
(2-methylpyrimidin-5-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04082 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 126.4
[M+Na]+ 163.03004 140.4
[M+NH4]+ 158.07464 135.9
[M+K]+ 179.00398 131.6
[M-H]- 139.03354 128.6
[M+Na-2H]- 161.01549 133.8
[M]+ 140.04027 129.6
[M]- 140.04137 129.6
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

No patent data available for this compound.