CID 115018519

Methyl 2-(1-aminocyclopropyl)benzoate hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1=CC=CC=C1C2(CC2)N
InChI
InChI=1S/C11H13NO2/c1-14-10(13)8-4-2-3-5-9(8)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChIKey
XTHDKMMCHOGFRJ-UHFFFAOYSA-N
Compound name
methyl 2-(1-aminocyclopropyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.7
[M+Na]+ 214.083858 149.0
[M-H]- 190.087364 147.3
[M+NH4]+ 209.128463 155.9
[M+K]+ 230.057798 147.0
[M+H-H2O]+ 174.091900 134.2
[M+HCOO]- 236.092841 163.8
[M+CH3COO]- 250.108491 187.2
[M+Na-2H]- 212.069306 145.9
[M]+ 191.09409142 142.1
[M]- 191.09518858 142.1
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