CID 322042

A281

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(C(=O)O)NCNC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16N2O2/c1-10(14(17)18)15-9-16-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,15-16H,9H2,1H3,(H,17,18)
InChIKey
ZYBUKDDPDSFHHK-UHFFFAOYSA-N
Compound name
2-[(naphthalen-2-ylamino)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 153.8
[M+Na]+ 267.11041 158.8
[M-H]- 243.11391 156.6
[M+NH4]+ 262.15501 170.6
[M+K]+ 283.08435 155.6
[M+H-H2O]+ 227.11845 146.9
[M+HCOO]- 289.11939 175.8
[M+CH3COO]- 303.13504 197.4
[M+Na-2H]- 265.09586 159.9
[M]+ 244.12064 152.3
[M]- 244.12174 152.3
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

No patent data available for this compound.