CID 46318523

1221341-35-0

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CC(C)(C)OC(=O)CCNCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H20ClNO2/c1-14(2,3)18-13(17)8-9-16-10-11-4-6-12(15)7-5-11/h4-7,16H,8-10H2,1-3H3
InChIKey
IHNKAUUIYQVFGS-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(4-chlorophenyl)methylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 163.0
[M+Na]+ 292.10748 169.8
[M-H]- 268.11098 166.4
[M+NH4]+ 287.15208 180.5
[M+K]+ 308.08142 165.9
[M+H-H2O]+ 252.11552 157.6
[M+HCOO]- 314.11646 180.6
[M+CH3COO]- 328.13211 199.2
[M+Na-2H]- 290.09293 167.2
[M]+ 269.11771 167.4
[M]- 269.11881 167.4
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.