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

17
Patents

205.11028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 143.5
[M+Na]+ 228.099498 147.8
[M-H]- 204.103004 149.7
[M+NH4]+ 223.144103 155.4
[M+K]+ 244.073438 149.4
[M+H-H2O]+ 188.107540 131.1
[M+HCOO]- 250.108481 165.8
[M+CH3COO]- 264.124131 191.0
[M+Na-2H]- 226.084946 148.0
[M]+ 205.10973142 151.2
[M]- 205.11082858 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