CID 5314776

5861-31-4

Structural Information

Molecular Formula
C11H12O2
SMILES
COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c1-13-11(12)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10+/m0/s1
InChIKey
BQRFZWGTJXCXSR-VHSXEESVSA-N
Compound name
trans-methyl (1R,2R)-2-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 135.7
[M+Na]+ 199.072938 145.1
[M-H]- 175.076444 143.6
[M+NH4]+ 194.117543 151.2
[M+K]+ 215.046878 142.8
[M+H-H2O]+ 159.080980 129.2
[M+HCOO]- 221.081921 159.8
[M+CH3COO]- 235.097571 183.7
[M+Na-2H]- 197.058386 141.5
[M]+ 176.08317142 139.2
[M]- 176.08426858 139.2
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