CID 12246308

872851-29-1

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=CC=C(C=C1)C(=O)ON
InChI
InChI=1S/C8H9NO3/c1-11-7-4-2-6(3-5-7)8(10)12-9/h2-5H,9H2,1H3
InChIKey
KRRGYDUZFDKPIB-UHFFFAOYSA-N
Compound name
amino 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

167.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.1
[M+Na]+ 190.04746 140.0
[M-H]- 166.05096 135.7
[M+NH4]+ 185.09206 152.2
[M+K]+ 206.02140 139.4
[M+H-H2O]+ 150.05550 126.2
[M+HCOO]- 212.05644 157.3
[M+CH3COO]- 226.07209 179.0
[M+Na-2H]- 188.03291 138.2
[M]+ 167.05769 133.2
[M]- 167.05879 133.2
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