CID 83783

13871-68-6

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)OC1=CC=C(C=C1)N
InChI
InChI=1S/C8H9NO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
InChIKey
QVJWBJWRAPJXNM-UHFFFAOYSA-N
Compound name
(4-aminophenyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1386
Patents

151.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.2
[M+Na]+ 174.05254 137.2
[M-H]- 150.05604 132.9
[M+NH4]+ 169.09714 150.0
[M+K]+ 190.02648 136.0
[M+H-H2O]+ 134.06058 123.5
[M+HCOO]- 196.06152 154.2
[M+CH3COO]- 210.07717 176.9
[M+Na-2H]- 172.03799 135.2
[M]+ 151.06277 128.8
[M]- 151.06387 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe