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 138.4
[M+Na]+ 214.08386 147.9
[M-H]- 190.08736 146.0
[M+NH4]+ 209.12846 153.0
[M+K]+ 230.05780 144.8
[M+H-H2O]+ 174.09190 132.0
[M+HCOO]- 236.09284 162.9
[M+CH3COO]- 250.10849 188.8
[M+Na-2H]- 212.06931 142.9
[M]+ 191.09409 140.8
[M]- 191.09519 140.8
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