CID 688575

L-serine beta-naphthylamide

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CO)N
InChI
InChI=1S/C13H14N2O2/c14-12(8-16)13(17)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,16H,8,14H2,(H,15,17)/t12-/m0/s1
InChIKey
JOPLDMLMXHNTAX-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-hydroxy-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

230.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.1
[M+Na]+ 253.09475 161.6
[M+NH4]+ 248.13935 158.8
[M+K]+ 269.06869 156.1
[M-H]- 229.09825 153.7
[M+Na-2H]- 251.08020 156.7
[M]+ 230.10498 153.0
[M]- 230.10608 153.0
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

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