CID 2769455

2156615-71-1

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)C1=CC=C(C=C1)C(CC(=O)OC)N
InChI
InChI=1S/C13H19NO2/c1-9(2)10-4-6-11(7-5-10)12(14)8-13(15)16-3/h4-7,9,12H,8,14H2,1-3H3
InChIKey
LMGBGJYWZRQZMX-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

221.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 153.1
[M+Na]+ 244.130808 158.4
[M-H]- 220.134314 156.0
[M+NH4]+ 239.175413 171.0
[M+K]+ 260.104748 157.1
[M+H-H2O]+ 204.138850 146.7
[M+HCOO]- 266.139791 174.4
[M+CH3COO]- 280.155441 193.9
[M+Na-2H]- 242.116256 153.9
[M]+ 221.14104142 153.3
[M]- 221.14213858 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