CID 15250241

Rac-[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C11H14O2
SMILES
COC1=CC=C(C=C1)[C@@H]2C[C@H]2CO
InChI
InChI=1S/C11H14O2/c1-13-10-4-2-8(3-5-10)11-6-9(11)7-12/h2-5,9,11-12H,6-7H2,1H3/t9-,11-/m0/s1
InChIKey
ZKFNRNDXRRPTBZ-ONGXEEELSA-N
Compound name
[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 135.4
[M+Na]+ 201.08860 145.2
[M-H]- 177.09210 142.1
[M+NH4]+ 196.13320 150.5
[M+K]+ 217.06254 142.1
[M+H-H2O]+ 161.09664 129.2
[M+HCOO]- 223.09758 158.8
[M+CH3COO]- 237.11323 182.9
[M+Na-2H]- 199.07405 141.4
[M]+ 178.09883 138.9
[M]- 178.09993 138.9
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