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]+ 177.09100 135.7
[M+Na]+ 199.07294 145.1
[M-H]- 175.07644 143.6
[M+NH4]+ 194.11754 151.2
[M+K]+ 215.04688 142.8
[M+H-H2O]+ 159.08098 129.2
[M+HCOO]- 221.08192 159.8
[M+CH3COO]- 235.09757 183.7
[M+Na-2H]- 197.05839 141.5
[M]+ 176.08317 139.2
[M]- 176.08427 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.