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]+ 270.125536 163.0
[M+Na]+ 292.107478 169.8
[M-H]- 268.110984 166.4
[M+NH4]+ 287.152083 180.5
[M+K]+ 308.081418 165.9
[M+H-H2O]+ 252.115520 157.6
[M+HCOO]- 314.116461 180.6
[M+CH3COO]- 328.132111 199.2
[M+Na-2H]- 290.092926 167.2
[M]+ 269.11771142 167.4
[M]- 269.11880858 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.