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]+ 141.048096 124.3
[M+Na]+ 163.030038 134.5
[M-H]- 139.033544 126.0
[M+NH4]+ 158.074643 144.4
[M+K]+ 179.003978 132.2
[M+H-H2O]+ 123.038080 118.0
[M+HCOO]- 185.039021 142.1
[M+CH3COO]- 199.054671 172.7
[M+Na-2H]- 161.015486 129.9
[M]+ 140.04027142 126.7
[M]- 140.04136858 126.7
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.