CID 176040

107033-44-3

Structural Information

Molecular Formula
C10H12O2
SMILES
C[C@@]1([C@@H](O1)C2=CC=CC=C2)CO
InChI
InChI=1S/C10H12O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-,10-/m0/s1
InChIKey
ZXCJUHWLCBNLOX-UWVGGRQHSA-N
Compound name
[(2S,3S)-2-methyl-3-phenyloxiran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 132.1
[M+Na]+ 187.07294 142.4
[M-H]- 163.07644 139.8
[M+NH4]+ 182.11754 148.3
[M+K]+ 203.04688 141.7
[M+H-H2O]+ 147.08098 126.8
[M+HCOO]- 209.08192 154.5
[M+CH3COO]- 223.09757 178.4
[M+Na-2H]- 185.05839 141.3
[M]+ 164.08317 136.1
[M]- 164.08427 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe