CID 131458076

Methyl 2-(3-aminocyclobutyl)benzoate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1=CC=CC=C1C2CC(C2)N
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-5-3-2-4-10(11)8-6-9(13)7-8/h2-5,8-9H,6-7,13H2,1H3
InChIKey
QWQNXDUDWGRUTB-UHFFFAOYSA-N
Compound name
methyl 2-(3-aminocyclobutyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.9
[M+Na]+ 228.09950 150.1
[M-H]- 204.10300 151.0
[M+NH4]+ 223.14410 156.9
[M+K]+ 244.07344 151.3
[M+H-H2O]+ 188.10754 132.7
[M+HCOO]- 250.10848 166.5
[M+CH3COO]- 264.12413 191.5
[M+Na-2H]- 226.08495 147.6
[M]+ 205.10973 152.0
[M]- 205.11083 152.0
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.