CID 162458

Methyl n-formylanthranilate

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC(=O)C1=CC=CC=C1NC=O
InChI
InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)
InChIKey
HRNPZFOYXWWMFL-UHFFFAOYSA-N
Compound name
methyl 2-formamidobenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

114
Patents

179.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.8
[M+Na]+ 202.04746 142.6
[M-H]- 178.05096 138.8
[M+NH4]+ 197.09206 154.6
[M+K]+ 218.02140 141.5
[M+H-H2O]+ 162.05550 128.7
[M+HCOO]- 224.05644 160.5
[M+CH3COO]- 238.07209 181.8
[M+Na-2H]- 200.03291 141.4
[M]+ 179.05769 136.6
[M]- 179.05879 136.6
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