CID 137941471

Tert-butyl 2-(4-amino-2-chlorophenoxy)acetate

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
CC(C)(C)OC(=O)COC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C12H16ClNO3/c1-12(2,3)17-11(15)7-16-10-5-4-8(14)6-9(10)13/h4-6H,7,14H2,1-3H3
InChIKey
PUBMAYQQXPPSGK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-amino-2-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08188 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08916 156.4
[M+Na]+ 280.07110 164.8
[M-H]- 256.07460 160.0
[M+NH4]+ 275.11570 174.3
[M+K]+ 296.04504 161.8
[M+H-H2O]+ 240.07914 151.5
[M+HCOO]- 302.08008 174.2
[M+CH3COO]- 316.09573 195.8
[M+Na-2H]- 278.05655 160.0
[M]+ 257.08133 160.9
[M]- 257.08243 160.9
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.