CID 64016692

3-(2-methanesulfonylpropan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C7H13N3O2S
SMILES
CC(C)(C1=CC(=NN1)N)S(=O)(=O)C
InChI
InChI=1S/C7H13N3O2S/c1-7(2,13(3,11)12)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)
InChIKey
JEGIQZFLPMPIQO-UHFFFAOYSA-N
Compound name
5-(2-methylsulfonylpropan-2-yl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.07285 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08013 145.5
[M+Na]+ 226.06207 153.3
[M+NH4]+ 221.10667 151.0
[M+K]+ 242.03601 150.8
[M-H]- 202.06557 143.2
[M+Na-2H]- 224.04752 147.9
[M]+ 203.07230 146.0
[M]- 203.07340 146.0
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

patents stripe