CID 130631909

1934777-28-2

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]+ 157.079386 130.3
[M+Na]+ 179.061328 142.0
[M-H]- 155.064834 132.7
[M+NH4]+ 174.105933 152.3
[M+K]+ 195.035268 139.9
[M+H-H2O]+ 139.069370 124.7
[M+HCOO]- 201.070311 148.5
[M+CH3COO]- 215.085961 178.1
[M+Na-2H]- 177.046776 131.4
[M]+ 156.07156142 134.8
[M]- 156.07265858 134.8
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.