CID 5288981

Nam napthylaminoalanine

Structural Information

Molecular Formula
C13H14N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)N)N
InChI
InChI=1S/C13H14N2O/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H2,15,16)/t12-/m0/s1
InChIKey
DGFMSNJYBBNHCX-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-naphthalen-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.4
[M+Na]+ 237.09983 153.4
[M-H]- 213.10333 150.8
[M+NH4]+ 232.14443 165.7
[M+K]+ 253.07377 150.0
[M+H-H2O]+ 197.10787 140.7
[M+HCOO]- 259.10881 169.7
[M+CH3COO]- 273.12446 193.5
[M+Na-2H]- 235.08528 152.2
[M]+ 214.11006 143.9
[M]- 214.11116 143.9
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.