CID 154577689

2418709-60-9

Structural Information

Molecular Formula
C6H12N4OS
SMILES
CN1C=C(C(=N1)CN)S(=N)(=O)C
InChI
InChI=1S/C6H12N4OS/c1-10-4-6(12(2,8)11)5(3-7)9-10/h4,8H,3,7H2,1-2H3
InChIKey
PMMRKNXZMUALMF-UHFFFAOYSA-N
Compound name
[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.07318 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08046 140.5
[M+Na]+ 211.06240 149.0
[M+NH4]+ 206.10700 146.9
[M+K]+ 227.03634 145.3
[M-H]- 187.06590 140.2
[M+Na-2H]- 209.04785 143.8
[M]+ 188.07263 141.7
[M]- 188.07373 141.7
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.