CID 102735014

1596617-60-5

Structural Information

Molecular Formula
C8H11N3O3
SMILES
C1C[C@H]([C@@H](C1)O)N2C=C(C=N2)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7-8,12H,1-3H2/t7-,8-/m1/s1
InChIKey
GMMDMYGCQBKABZ-HTQZYQBOSA-N
Compound name
(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.08005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 139.9
[M+Na]+ 220.06927 149.8
[M+NH4]+ 215.11387 146.9
[M+K]+ 236.04321 151.9
[M-H]- 196.07277 141.7
[M+Na-2H]- 218.05472 144.1
[M]+ 197.07950 141.3
[M]- 197.08060 141.3
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