CID 61777961

Methyl 2-(cyclobutylamino)benzoate

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1=CC=CC=C1NC2CCC2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)10-7-2-3-8-11(10)13-9-5-4-6-9/h2-3,7-9,13H,4-6H2,1H3
InChIKey
NJPKKYFUZOWBNQ-UHFFFAOYSA-N
Compound name
methyl 2-(cyclobutylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.5
[M+Na]+ 228.09950 147.8
[M-H]- 204.10300 149.7
[M+NH4]+ 223.14410 155.4
[M+K]+ 244.07344 149.4
[M+H-H2O]+ 188.10754 131.1
[M+HCOO]- 250.10848 165.8
[M+CH3COO]- 264.12413 191.0
[M+Na-2H]- 226.08495 148.0
[M]+ 205.10973 151.2
[M]- 205.11083 151.2
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