CID 103700004

Tert-butyl 3-{[(2-methylphenyl)methyl]amino}propanoate

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC1=CC=CC=C1CNCCC(=O)OC(C)(C)C
InChI
InChI=1S/C15H23NO2/c1-12-7-5-6-8-13(12)11-16-10-9-14(17)18-15(2,3)4/h5-8,16H,9-11H2,1-4H3
InChIKey
OICZPCKAHPPNHU-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(2-methylphenyl)methylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 161.1
[M+Na]+ 272.16210 166.6
[M-H]- 248.16560 164.4
[M+NH4]+ 267.20670 178.5
[M+K]+ 288.13604 164.6
[M+H-H2O]+ 232.17014 154.7
[M+HCOO]- 294.17108 182.8
[M+CH3COO]- 308.18673 198.5
[M+Na-2H]- 270.14755 165.2
[M]+ 249.17233 163.8
[M]- 249.17343 163.8
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.