CID 45489862

Tert-butyl 3-(2-aminophenyl)propanoate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)CCC1=CC=CC=C1N
InChI
InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9,14H2,1-3H3
InChIKey
HGIJHLYXGQVVEL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-aminophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.4
[M+Na]+ 244.13081 158.8
[M-H]- 220.13431 155.5
[M+NH4]+ 239.17541 170.6
[M+K]+ 260.10475 156.9
[M+H-H2O]+ 204.13885 146.5
[M+HCOO]- 266.13979 174.2
[M+CH3COO]- 280.15544 191.7
[M+Na-2H]- 242.11626 156.5
[M]+ 221.14104 153.3
[M]- 221.14214 153.3
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