CID 131458074

2243501-27-9

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1=CC=C(C=C1)C2CC(C2)N
InChI
InChI=1S/C12H15NO2/c1-15-12(14)9-4-2-8(3-5-9)10-6-11(13)7-10/h2-5,10-11H,6-7,13H2,1H3
InChIKey
FTRAIHPYLHUEPB-UHFFFAOYSA-N
Compound name
methyl 4-(3-aminocyclobutyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 147.1
[M+Na]+ 228.09950 153.9
[M+NH4]+ 223.14410 151.2
[M+K]+ 244.07344 150.1
[M-H]- 204.10300 147.7
[M+Na-2H]- 226.08495 150.8
[M]+ 205.10973 146.9
[M]- 205.11083 146.9
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.