CID 150175

106268-97-7

Structural Information

Molecular Formula
C11H11NO5
SMILES
C[C@H]1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H11NO5/c1-7-10(17-7)6-16-11(13)8-2-4-9(5-3-8)12(14)15/h2-5,7,10H,6H2,1H3/t7-,10-/m0/s1
InChIKey
BPOPJHHLTDEVBN-XVKPBYJWSA-N
Compound name
[(2S,3S)-3-methyloxiran-2-yl]methyl 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.06372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.070996 145.0
[M+Na]+ 260.052938 153.8
[M-H]- 236.056444 153.6
[M+NH4]+ 255.097543 156.1
[M+K]+ 276.026878 148.7
[M+H-H2O]+ 220.060980 142.6
[M+HCOO]- 282.061921 169.2
[M+CH3COO]- 296.077571 188.1
[M+Na-2H]- 258.038386 152.4
[M]+ 237.06317142 149.7
[M]- 237.06426858 149.7
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