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
trans-(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]+ 198.087326 140.8
[M+Na]+ 220.069268 147.2
[M-H]- 196.072774 144.1
[M+NH4]+ 215.113873 159.1
[M+K]+ 236.043208 141.7
[M+H-H2O]+ 180.077310 138.1
[M+HCOO]- 242.078251 162.9
[M+CH3COO]- 256.093901 173.3
[M+Na-2H]- 218.054716 145.1
[M]+ 197.07950142 136.2
[M]- 197.08059858 136.2
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