CID 68667437

1356600-10-6

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13NO2/c1-14-11(13)10-6-9(10)7-2-4-8(12)5-3-7/h2-5,9-10H,6,12H2,1H3/t9-,10+/m0/s1
InChIKey
ABLMNIKWSKUYMA-VHSXEESVSA-N
Compound name
methyl (1R,2R)-2-(4-aminophenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.0
[M+Na]+ 214.08386 155.1
[M+NH4]+ 209.12846 150.8
[M+K]+ 230.05780 150.9
[M-H]- 190.08736 152.2
[M+Na-2H]- 212.06931 151.3
[M]+ 191.09409 147.7
[M]- 191.09519 147.7
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