CID 43807774

1-[2-(ethanesulfonyl)ethyl]-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C7H13N3O2S
SMILES
CCS(=O)(=O)CCN1C=C(C=N1)N
InChI
InChI=1S/C7H13N3O2S/c1-2-13(11,12)4-3-10-6-7(8)5-9-10/h5-6H,2-4,8H2,1H3
InChIKey
BMKZZDBTCCMFOO-UHFFFAOYSA-N
Compound name
1-(2-ethylsulfonylethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07285 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08013 143.3
[M+Na]+ 226.06207 152.6
[M-H]- 202.06557 144.4
[M+NH4]+ 221.10667 161.8
[M+K]+ 242.03601 150.0
[M+H-H2O]+ 186.07011 136.8
[M+HCOO]- 248.07105 161.0
[M+CH3COO]- 262.08670 182.6
[M+Na-2H]- 224.04752 146.0
[M]+ 203.07230 145.9
[M]- 203.07340 145.9
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.