CID 130631909

(trimethyl-1h-pyrazol-4-yl)methanethiol

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC1=C(C(=NN1C)C)CS
InChI
InChI=1S/C7H12N2S/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3
InChIKey
BEWUVWHOBOTARP-UHFFFAOYSA-N
Compound name
(1,3,5-trimethylpyrazol-4-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 134.2
[M+Na]+ 179.06133 146.6
[M+NH4]+ 174.10593 143.1
[M+K]+ 195.03527 140.2
[M-H]- 155.06483 135.5
[M+Na-2H]- 177.04678 138.7
[M]+ 156.07156 136.8
[M]- 156.07266 136.8
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.