CID 16776079

3-(naphthalen-2-ylformamido)propanoic acid

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NCCC(=O)O
InChI
InChI=1S/C14H13NO3/c16-13(17)7-8-15-14(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,18)(H,16,17)
InChIKey
UWCKYMSSNVSTQI-UHFFFAOYSA-N
Compound name
3-(naphthalene-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.08954 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 153.7
[M+Na]+ 266.07876 165.2
[M+NH4]+ 261.12336 161.1
[M+K]+ 282.05270 159.3
[M-H]- 242.08226 155.5
[M+Na-2H]- 264.06421 159.3
[M]+ 243.08899 155.6
[M]- 243.09009 155.6
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

patents stripe