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

1
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

patents stripe