CID 122154727

Rac-(2r,3r)-2-phenyloxane-3-carbohydrazide

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1C[C@H]([C@@H](OC1)C2=CC=CC=C2)C(=O)NN
InChI
InChI=1S/C12H16N2O2/c13-14-12(15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKey
HOXAIVDFJLSIQV-MNOVXSKESA-N
Compound name
(2R,3R)-2-phenyloxane-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.8
[M+Na]+ 243.11041 153.5
[M-H]- 219.11391 155.8
[M+NH4]+ 238.15501 165.4
[M+K]+ 259.08435 152.1
[M+H-H2O]+ 203.11845 142.1
[M+HCOO]- 265.11939 170.6
[M+CH3COO]- 279.13504 191.0
[M+Na-2H]- 241.09586 154.5
[M]+ 220.12064 143.9
[M]- 220.12174 143.9
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.