CID 165624304

2228383-46-6

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC1=C(C(=NN1C)C)CCS
InChI
InChI=1S/C8H14N2S/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
InChIKey
HVEBYZUSSADFLX-UHFFFAOYSA-N
Compound name
2-(1,3,5-trimethylpyrazol-4-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 134.8
[M+Na]+ 193.07699 146.0
[M-H]- 169.08049 137.0
[M+NH4]+ 188.12159 156.3
[M+K]+ 209.05093 143.7
[M+H-H2O]+ 153.08503 129.0
[M+HCOO]- 215.08597 152.7
[M+CH3COO]- 229.10162 181.1
[M+Na-2H]- 191.06244 135.4
[M]+ 170.08722 139.6
[M]- 170.08832 139.6
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.