CID 7131660

19717-59-0

Structural Information

Molecular Formula
C13H11NO3
SMILES
CC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O
InChI
InChI=1S/C13H11NO3/c1-8(15)14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
FHXRDNPWHSTOGC-UHFFFAOYSA-N
Compound name
3-acetamidonaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

229.0739 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 147.8
[M+Na]+ 252.06312 155.4
[M-H]- 228.06662 151.4
[M+NH4]+ 247.10772 165.9
[M+K]+ 268.03706 152.4
[M+H-H2O]+ 212.07116 141.6
[M+HCOO]- 274.07210 169.5
[M+CH3COO]- 288.08775 191.2
[M+Na-2H]- 250.04857 153.3
[M]+ 229.07335 147.7
[M]- 229.07445 147.7
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