CID 101457

N-1-naphthoylglycine

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)O
InChI
InChI=1S/C13H11NO3/c15-12(16)8-14-13(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKey
YQHPVWRRSORYIV-UHFFFAOYSA-N
Compound name
2-(naphthalene-1-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

90
Patents

229.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.0
[M+Na]+ 252.06312 154.6
[M-H]- 228.06662 151.2
[M+NH4]+ 247.10772 165.8
[M+K]+ 268.03706 151.6
[M+H-H2O]+ 212.07116 141.6
[M+HCOO]- 274.07210 169.7
[M+CH3COO]- 288.08775 189.9
[M+Na-2H]- 250.04857 154.2
[M]+ 229.07335 147.5
[M]- 229.07445 147.5
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