CID 16776079

926200-37-5

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 152.7
[M+Na]+ 266.07876 158.8
[M-H]- 242.08226 155.6
[M+NH4]+ 261.12336 169.9
[M+K]+ 282.05270 155.6
[M+H-H2O]+ 226.08680 146.0
[M+HCOO]- 288.08774 174.0
[M+CH3COO]- 302.10339 192.9
[M+Na-2H]- 264.06421 158.4
[M]+ 243.08899 152.5
[M]- 243.09009 152.5
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