CID 7021428

201985-01-5

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)CCN
InChI
InChI=1S/C13H14N2O/c14-8-7-13(16)15-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,14H2,(H,15,16)
InChIKey
FNMOUVSMWUISMV-UHFFFAOYSA-N
Compound name
3-amino-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

214.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 146.3
[M+Na]+ 237.099828 152.7
[M-H]- 213.103334 150.2
[M+NH4]+ 232.144433 165.1
[M+K]+ 253.073768 149.1
[M+H-H2O]+ 197.107870 139.5
[M+HCOO]- 259.108811 170.3
[M+CH3COO]- 273.124461 192.5
[M+Na-2H]- 235.085276 153.5
[M]+ 214.11006142 144.4
[M]- 214.11115858 144.4
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