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

39
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 150.0
[M+Na]+ 253.09475 155.6
[M-H]- 229.09825 152.5
[M+NH4]+ 248.13935 167.3
[M+K]+ 269.06869 152.3
[M+H-H2O]+ 213.10279 143.4
[M+HCOO]- 275.10373 171.7
[M+CH3COO]- 289.11938 193.2
[M+Na-2H]- 251.08020 155.5
[M]+ 230.10498 147.1
[M]- 230.10608 147.1
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